SCHEMBL20155993

SCHEMBL20155993

CCc1cccc(-c2c[nH]nn2)c1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
DRD2 P14416 1/20 0.32
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
RAB9A P51151 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
TLR8 Q9NR97 2/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
TP53 P04637 2/20 0.31
HPGD P15428 2/20 0.31
P2RX7 Q99572 2/20 0.31
CYP2D6 P10635 2/20 0.31
MAP2K7 O14733 1/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL11194759 0.82 TRPA1 (0.38) GABRA1GABRB2RAB9AMEN1KMT2A
SCHEMBL17194904 0.80 TLR8 (0.40) DRD2RAB9AMEN1KMT2AGAA
SCHEMBL21375829 0.77 ADRA2A (0.34) ADRA2AADRA2BADRA2CDRD2GABRA1
SCHEMBL20150106 0.76 TP53 (0.32) GABRA1GABRB2RAB9AGAAKDM4E
SCHEMBL21091035 0.76 TYK2 (0.33) RAB9AMEN1KMT2AGAAKDM4E
SCHEMBL24026469 0.76 TYK2 (0.39) ADRA2AADRA2BADRA2CDRD2GABRA1
SCHEMBL15412668 0.75 KDM4E (0.32) RAB9AKDM4EALDH1A1TP53HPGD
SCHEMBL15690385 0.75 TDP1 (0.41) RAB9AKMT2AGAAALDH1A1HPGD
SCHEMBL17198791 0.75 SMN1; SMN2 (0.44) RAB9AMEN1KMT2AGAAKDM4E
SCHEMBL20230856 0.75 P2RX7 (0.33) ADRA2AADRA2BADRA2CDRD2GABRA1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220073527-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-03-10 US disclosed
US-11220508-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2022-01-11 US disclosed
US-11174265-B2 2021-11-16 US disclosed
US-20210094948-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-01 US disclosed
US-10647713-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2020-05-12 US disclosed
US-10323036-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2019-06-18 US disclosed
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-07 US disclosed
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-17 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 (8 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-11220508-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 ADRA2A 4295/4885ADRA2B 3776/4885ADRA2C 4170/4885
US-20210094948-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 ADRA2A 4295/4885ADRA2B 3776/4885ADRA2C 4170/4885
US-10323036-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 ADRA2A 4295/4885ADRA2B 3776/4885ADRA2C 4170/4885
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 ADRA2A 4295/4885ADRA2B 3776/4885ADRA2C 4170/4885
US-11174265-B2 TYK2, JAK2, JAK1 ADRA2A 4287/4885ADRA2B 3867/4885ADRA2C 3889/4885
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 ADRA2A 4295/4885ADRA2B 3776/4885ADRA2C 4170/4885
US-10647713-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 ADRA2A 4295/4885ADRA2B 3776/4885ADRA2C 4170/4885
US-20220073527-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 ADRA2A 4295/4885ADRA2B 3776/4885ADRA2C 4170/4885

“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.