SCHEMBL4831435

SCHEMBL4831435

COc1cccc(C(=O)Nc2ccc(N3C=Nc4sccc4C3N)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.51
▸ RAB9A P51151 7/20 0.51
▸ SMN1; SMN2 Q16637 6/20 0.51
▸ ALDH1A1 P00352 5/20 0.51
▸ MAPT P10636 5/20 0.51
▸ LMNA P02545 3/20 0.51
▸ PKM P14618 2/20 0.51
▸ QSOX1 O00391 1/20 0.51
▸ TP53 P04637 3/20 0.49
▸ TSHR P16473 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49
▸ RELA Q04206 1/20 0.49
▸ KMT2A Q03164 5/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ HPGD P15428 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ GAA P10253 1/20 0.46

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
SCHEMBL4826281 0.86 RAB9A (0.48) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL4833679 0.85 GRM5 (0.47) L3MBTL1
SCHEMBL4825704 0.79 TRPV1 (0.48) SMN1; SMN2MAPTLMNATP53KMT2A
SCHEMBL4826358 0.76 GRM4 (0.34) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL4829077 0.74 NPY2R (0.43) KMT2AMEN1
SCHEMBL4834612 0.72 BAZ1A (0.41) NPC1SMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL4829300 0.71 HDAC1 (0.43) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL6802217 0.70 NPC1 (0.83) NPC1RAB9ASMN1; SMN2ALDH1A1PKM
SCHEMBL4831429 0.70 SMN1; SMN2 (0.57) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL6815681 0.69 NPC1 (0.76) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT

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-20050004142-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2005-01-06 — — US claimed
EP-1425284-A2 FURO- AND THIENOPYRIMIDINE DERIVATIVES AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-06-09 — — EP claimed
WO-2003022852-A2 FURO-AND THIENOPYRIMIDINE DERIVATIVES AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-03-20 — — WO claimed
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF ADAMS JERRY LEROY 2008-11-20 — — US disclosed
US-7427623-B2 4-Amino-2,3-disubstituted thieno[2,3-d]pyrimidines and pharmacetical compositions thereof SMITHKLINE BEECHAM CORPORATION (US) 2008-09-23 — — US disclosed
US-20050004142-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2005-01-06 — — US disclosed
EP-1425284-A2 FURO- AND THIENOPYRIMIDINE DERIVATIVES AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-06-09 — — EP disclosed
WO-2003022852-A2 FURO-AND THIENOPYRIMIDINE DERIVATIVES AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-03-20 — — 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-20050004142-A1 Chemical compounds TIE1, KDR, TEK NPC1 4117/4885RAB9A 3248/4885SMN1; SMN2 4268/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR NPC1 4782/4885RAB9A 4166/4885SMN1; SMN2 3836/4885

“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.

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