SCHEMBL188693

SCHEMBL188693

CCOc1cc(Br)cnc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 3/20 0.39
KMT2A Q03164 4/20 0.39
HTT P42858 2/20 0.39
AOC3 Q16853 2/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 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
SCHEMBL612377 0.82 GRM5 (0.49) GRM5CHRNB2CHRNA4HPGDSMN1; SMN2
SCHEMBL188641 0.82 HPGD (0.47) GRM5CHRNB2CHRNA4HPGDSMN1; SMN2
SCHEMBL29021806 0.80 GRM5 (0.44) GRM5CHRNB2CHRNA4HPGDSMN1; SMN2
SCHEMBL20476049 0.80 KDM4E (0.44) CHRNB2CHRNA4HPGDSMN1; SMN2LMNA
SCHEMBL18397199 0.80 GRM5 (0.44) GRM5CHRNB2CHRNA4HPGDSMN1; SMN2
SCHEMBL23159859 0.80 CHRNB2 (0.44) GRM5CHRNB2CHRNA4HPGDSMN1; SMN2
SCHEMBL189068 0.80 GRM5 (0.44) GRM5HPGDSMN1; SMN2LMNAKMT2A
SCHEMBL188427 0.80 KMT2A (0.50) GRM5HPGDSMN1; SMN2LMNAKMT2A
SCHEMBL188516 0.79 GRM5 (0.43) GRM5HPGDSMN1; SMN2LMNAKMT2A
SCHEMBL9628 0.78 CHRNB2 (0.49) CHRNB2CHRNA4SMN1; SMN2KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524906-B2 Tetrahydrothiazolopyridine inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 US disclosed
US-8524906-B2 Tetrahydrothiazolopyridine inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 US disclosed
US-8524906-B2 Tetrahydrothiazolopyridine inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 US disclosed
US-8268999-B2 Tri-cyclic pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-18 US disclosed
US-8268999-B2 Tri-cyclic pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-18 US disclosed
US-8268999-B2 Tri-cyclic pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-18 US disclosed
US-20120053187-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-01 US disclosed
US-20120053187-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-01 US disclosed
US-20120053187-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-01 US 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
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-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 (2 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-20120053187-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS PIK3CA, PIK3CD, PIK3CG GRM5 2385/4885CHRNB2 4045/4885CHRNA4 3874/4885
US-20120039849-A1 TETRAHYDROTHIAZOLOPYRIDINE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIK3CG GRM5 1774/4885CHRNB2 4059/4885CHRNA4 3915/4885

“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.