SCHEMBL4829189

SCHEMBL4829189

CC(C)(C)NC(=O)Nc1cccc(N2CN=c3occc3=C2N)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ BRAF P15056 1/20 0.36
▸ MAPK13 O15264 2/20 0.36
▸ MAPK12 P53778 2/20 0.36
▸ MAPK11 Q15759 2/20 0.36
▸ MAPK14 Q16539 2/20 0.36
▸ HTT P42858 1/20 0.34
▸ TBXA2R P21731 1/20 0.34
▸ TBXAS1 P24557 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
SCHEMBL4831180 0.88 CNR1 (0.39) EPHX2NPC1RAB9ATP53SMN1; SMN2
SCHEMBL4835375 0.85 KDM4E (0.36) KDM4EGAANPC1RAB9AALDH1A1
SCHEMBL4828818 0.84 MEN1 (0.52) NPC1RAB9AMAPK13MAPK12MAPK11
SCHEMBL4828787 0.84 CNR1 (0.51) KMT2AMEN1CNR1
SCHEMBL4830976 0.83 EPHX1 (0.43) EPHX2ALDH1A1HSD17B10HTT
SCHEMBL4834425 0.82 RAB9A (0.47) EPHX2GAANPC1RAB9ATP53
SCHEMBL4825882 0.82 NPC1 (0.48) NPC1RAB9ATP53SMN1; SMN2HSD17B10
SCHEMBL4832987 0.79 NPC1 (0.47) KDM4EGAANPC1RAB9AALDH1A1
SCHEMBL4833677 0.78 MEN1 (0.47) NPC1RAB9AALDH1A1TP53HPGD
SCHEMBL4833622 0.78 RAB9A (0.47) GAANPC1RAB9ASMN1; SMN2MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF ADAMS JERRY LEROY 2008-11-20 — — US claimed
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

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 EPHX2 1026/4885KDM4E 580/4885GAA 3329/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR EPHX2 736/4885KDM4E 202/4885GAA 4356/4885

“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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