SCHEMBL188631

SCHEMBL188631

CCOc1ncc(Br)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
GRM5 P41594 1/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
MAPT P10636 3/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 2/20 0.36
ALOX12 P18054 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL188641 0.89 HPGD (0.47) SMN1; SMN2HPGDGRM5MAPTALDH1A1
SCHEMBL188553 0.86 ALDH1A1 (0.39) SMN1; SMN2HPGDPIK3CAMTORMAPT
SCHEMBL188516 0.85 GRM5 (0.43) SMN1; SMN2HPGDGRM5PIK3CAMTOR
SCHEMBL609631 0.85 L3MBTL1 (0.38) SMN1; SMN2GRM5PIK3CAMTORMAPT
SCHEMBL8916 0.84 PIK3CA (0.49) SMN1; SMN2PIK3CAMTORMAPTGAA
SCHEMBL29611762 0.84 PIK3CA (0.49) SMN1; SMN2PIK3CAMTORMAPTGAA
SCHEMBL611785 0.82 PIK3CA (0.37) SMN1; SMN2HPGDPIK3CAMTORMAPT
SCHEMBL189145 0.81 GRM5 (0.38) SMN1; SMN2HPGDGRM5ALDH1A1NPC1
SCHEMBL612880 0.80 L3MBTL1 (0.40) SMN1; SMN2HPGDPIK3CAMTORMAPT
SCHEMBL609635 0.80 PDE4B (0.33) GRM5PIK3CAMTORMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12275723-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2025-04-15 US disclosed
US-20240400546-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2024-12-05 US disclosed
US-20240300938-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2024-09-12 US disclosed
US-11970486-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-04-30 US disclosed
US-20240124435-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2024-04-18 US disclosed
CN-117777121-A Compounds and uses thereof 詹森药业有限公司 2024-03-29 CN disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
CN-110099898-B Compounds and uses thereof 优曼尼蒂治疗公司 2023-07-25 CN disclosed
US-20120039849-A1 TETRAHYDROTHIAZOLOPYRIDINE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 US disclosed
US-20120039849-A1 TETRAHYDROTHIAZOLOPYRIDINE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 US disclosed
EP-2401273-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2012-01-04 EP disclosed
EP-2398810-A1 TETRAHYDROTHIAZOLOPYRIDINE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE Vertex Pharmaceuticals Incorporated (US) 2011-12-28 EP disclosed
WO-2011087776-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 WO disclosed
WO-2011087776-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 WO disclosed
WO-2010135014-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-25 WO disclosed
WO-2010135014-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-25 WO disclosed
WO-2010096389-A1 TETRAHYDROTHIAZOLOPYRIDINE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-26 WO disclosed
WO-2010096389-A1 TETRAHYDROTHIAZOLOPYRIDINE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-26 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 (7 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-20240124435-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 SMN1; SMN2 13/4885HPGD 565/4885GRM5 68/4885
US-20240300938-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 SMN1; SMN2 13/4885HPGD 565/4885GRM5 68/4885
US-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 SMN1; SMN2 13/4885HPGD 565/4885GRM5 68/4885
US-20240400546-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 SMN1; SMN2 13/4885HPGD 565/4885GRM5 68/4885
US-12275723-B2 Compounds and uses thereof NLN, ACHE, CLN6 SMN1; SMN2 13/4885HPGD 565/4885GRM5 68/4885
US-20120039849-A1 TETRAHYDROTHIAZOLOPYRIDINE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIK3CG SMN1; SMN2 1838/4885HPGD 1678/4885GRM5 1774/4885
US-11970486-B2 Compounds and uses thereof NLN, ACHE, CLN6 SMN1; SMN2 13/4885HPGD 565/4885GRM5 68/4885

“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.