SCHEMBL525487

SCHEMBL525487

COc1cc(N)cc(C)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 4/20 0.40
KDM4E B2RXH2 3/20 0.40
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
NR4A1 P22736 1/20 0.39
ALDH1A1 P00352 6/20 0.38
CYP3A4 P08684 2/20 0.38
G6PD P11413 1/20 0.38
POLB P06746 1/20 0.36
GFER P55789 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL1458353 0.86 GAA (0.48) GAANPC1MAPTKDM4ETSHR
SCHEMBL10946042 0.80 GAA (0.48) GAANPC1MAPTKDM4ETSHR
SCHEMBL12786665 0.78 GAA (0.42) GAANPC1MAPTKDM4ETSHR
SCHEMBL2102298 0.78 CYP3A4 (0.52) GAAMAPTKDM4ETSHRMAPK1
SCHEMBL525275 0.77 GAA (0.42) GAANPC1MAPTKDM4ETSHR
SCHEMBL14500122 0.77 ACHE (0.52) GAANPC1MAPTMAPK1ALDH1A1
SCHEMBL22264549 0.77 GLA (0.38) GAANPC1MAPTKDM4ETSHR
SCHEMBL5161298 0.77 MAPT (0.43) GAANPC1MAPTKDM4ETSHR
SCHEMBL30943706 0.77 GLA (0.38) GAANPC1MAPTKDM4ETSHR
SCHEMBL24952849 0.77 GAA (0.41) GAANPC1MAPTKDM4ETSHR

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 44 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-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
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
EP-2598500-B1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS INC (US) 2021-05-19 EP disclosed
US-20200115371-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2020-04-16 US disclosed
US-10479783-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2019-11-19 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-8343954-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2013-01-01 US disclosed
US-20120028923-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2012-02-02 US disclosed
US-20120028923-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2012-02-02 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
WO-2012015972-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2012-02-02 WO disclosed
WO-2007067537-A1 PYRROLOPYRIDINE KINASE INHIBITING COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2007-06-14 WO disclosed
US-20070129364-A1 Pyrrolopyridine kinase inhibiting compounds OSI PHARMACEUTICALS, INC. 2007-06-07 US disclosed
US-20070129364-A1 Pyrrolopyridine kinase inhibiting compounds OSI PHARMACEUTICALS, INC. 2007-06-07 US disclosed
US-20070129364-A1 Pyrrolopyridine kinase inhibiting compounds OSI PHARMACEUTICALS, INC. 2007-06-07 US 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 (6 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-20200115371-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 GAA 1973/4885NPC1 3808/4885MAPT 4314/4885
US-11174251-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 GAA 1973/4885NPC1 3808/4885MAPT 4314/4885
US-20120028923-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 GAA 1973/4885NPC1 3808/4885MAPT 4314/4885
US-10479783-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 GAA 1973/4885NPC1 3808/4885MAPT 4314/4885
US-20070129364-A1 Pyrrolopyridine kinase inhibiting compounds BMX, ERBB2, FRK GAA 3064/4885NPC1 4182/4885MAPT 2702/4885
US-20220024907-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 GAA 1973/4885NPC1 3808/4885MAPT 4314/4885

“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.