SCHEMBL341827

SCHEMBL341827

O=c1sc2cccnc2s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.39
PDK1 Q15118 1/20 0.37
KAT2B Q92831 5/20 0.36
LIMK1 P53667 3/20 0.36
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
TDP2 O95551 1/20 0.35
NSD2 O96028 1/20 0.35
ABL1 P00519 1/20 0.35
PLCG1 P19174 1/20 0.35
CES1 P23141 1/20 0.35
PAX8 Q06710 1/20 0.35
RIN1 Q13671 1/20 0.35
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL339692 0.73 TDP1 (0.35) CYP2A6TDP1
SCHEMBL339689 0.70 CA12 (0.46) CYP2A6MEN1KMT2ATDP1LMNA
SCHEMBL11884995 0.68 LIMK1 (0.50) LIMK1IKBKBCHUKTDP1LMNA
SCHEMBL30376713 0.65 GPR3 (0.54) PDK1KAT2BLIMK1IKBKBCHUK
SCHEMBL3378060 0.65 GPR3 (0.54) PDK1KAT2BLIMK1IKBKBCHUK
SCHEMBL17051494 0.65 LIMK1 (0.49) CYP2A6PDK1LIMK1IKBKBCHUK
SCHEMBL4903332 0.64 LIMK1 (0.50) CYP2A6PDK1KAT2BLIMK1IKBKB
SCHEMBL10054253 0.64 LIMK1 (0.57) LIMK1TDP1LMNANPC1TSHR
SCHEMBL341252 0.64 PDE3B (0.49)
SCHEMBL338855 0.63 KDM4E (0.42) CYP2A6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220024907-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2022-01-27 US disclosed
US-11174251-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2021-11-16 US disclosed
EP-2598500-B1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS INC (US) 2021-05-19 EP disclosed
US-20200216431-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2020-07-09 US disclosed
US-20200115371-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2020-04-16 US disclosed
US-10556891-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2020-02-11 US disclosed
US-10479783-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2019-11-19 US disclosed
US-RE47396-E1 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2019-05-21 US disclosed
US-20180265503-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2018-09-20 US disclosed
US-10005767-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2018-06-26 US disclosed
US-20120028923-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2012-02-02 US disclosed
WO-2012015972-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2012-02-02 WO disclosed
US-20120016122-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2012-01-19 US disclosed
US-20120016131-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2012-01-19 US disclosed
US-20120010407-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2012-01-12 US disclosed
US-20120010406-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2012-01-12 US disclosed
EP-2389372-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY Rigel Pharmaceuticals, Inc. (US) 2011-11-30 EP disclosed
US-8037782-B2 Steering column assembly FUJI KIKO CO., LTD. (JP) 2011-10-18 US disclosed
US-20100190770-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2010-07-29 US disclosed
WO-2010085684-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2010-07-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120010407-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CYP2A6 3282/4885PDK1 733/4885KAT2B 1124/4885
US-20200115371-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CYP2A6 2674/4885PDK1 595/4885KAT2B 1036/4885
US-20180265503-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CYP2A6 3282/4885PDK1 733/4885KAT2B 1124/4885
US-20120016122-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CYP2A6 3282/4885PDK1 733/4885KAT2B 1124/4885
US-20200216431-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CYP2A6 3282/4885PDK1 733/4885KAT2B 1124/4885
US-20100190770-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CYP2A6 3282/4885PDK1 733/4885KAT2B 1124/4885
US-11174251-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 CYP2A6 2674/4885PDK1 595/4885KAT2B 1036/4885
US-20120028923-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CYP2A6 2674/4885PDK1 595/4885KAT2B 1036/4885
US-10479783-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 CYP2A6 2674/4885PDK1 595/4885KAT2B 1036/4885
US-20120010406-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CYP2A6 3282/4885PDK1 733/4885KAT2B 1124/4885
US-20120016131-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CYP2A6 3282/4885PDK1 733/4885KAT2B 1124/4885
US-10556891-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 CYP2A6 3282/4885PDK1 733/4885KAT2B 1124/4885
US-10005767-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 CYP2A6 3282/4885PDK1 733/4885KAT2B 1124/4885
US-20220024907-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CYP2A6 2674/4885PDK1 595/4885KAT2B 1036/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.