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SCHEMBL4831557

SCHEMBL4831557

CN1CCN(Cc2ccc(C(=O)Nc3ccc(N4C=Nc5sccc5C4N)cc3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.49
▸ LCK P06239 1/20 0.48
▸ CSF1R P07333 1/20 0.48
▸ MAPK14 Q16539 1/20 0.47
▸ GLS O94925 2/20 0.46
▸ TBK1 Q9UHD2 3/20 0.46
▸ IKBKE Q14164 3/20 0.46
▸ KIT P10721 3/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.45
▸ HIF1A Q16665 1/20 0.43
▸ EPAS1 Q99814 1/20 0.43
▸ KDM1A O60341 2/20 0.43
▸ MAOA P21397 2/20 0.43
▸ MAOB P27338 2/20 0.43
▸ KDM1B Q8NB78 2/20 0.43
▸ RCOR1 Q9UKL0 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ RAB9A P51151 1/20 0.43

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
SCHEMBL4835303 0.81 RAB9A (0.43) KDM1AMAOAMAOBKDM1BRCOR1
SCHEMBL15651745 0.74 BTK (0.65) BTKMAPK14KITHDAC6HIF1A
SCHEMBL4831551 0.73 LCK (0.50) BTKLCKCSF1RMAPK14GLS
SCHEMBL14845834 0.72 BTK (0.67) BTKMAPK14HDAC6HIF1AEPAS1
SCHEMBL28643431 0.72 RAB9A (0.73) BTKHDAC6HIF1AEPAS1KDM4E
SCHEMBL24024030 0.72 RAB9A (0.73) BTKHDAC6HIF1AEPAS1KDM4E
SCHEMBL13747820 0.72 SMN1; SMN2 (0.67) BTKHDAC6HIF1AEPAS1KDM4E
SCHEMBL14409556 0.72 SMN1; SMN2 (0.67) BTKHDAC6HIF1AEPAS1KDM4E
SCHEMBL28300862 0.71 BTK (0.68) BTKHDAC6HIF1AEPAS1KDM4E
SCHEMBL878663 0.71 BTK (0.64) BTKMAPK14HDAC6HIF1AEPAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004142-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2005-01-06 — — US 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 BTK 680/4885LCK 94/4885CSF1R 807/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR BTK 677/4885LCK 94/4885CSF1R 1346/4885

“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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