SCHEMBL4833763

SCHEMBL4833763

NC1=c2ccoc2=NCN1c1ccc(N)cc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.32
▸ GAA P10253 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ GFER P55789 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ RECQL P46063 1/20 0.30
▸ RAB9A P51151 1/20 0.30

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
SCHEMBL4834399 0.84 ALDH1A1 (0.32) ALDH1A1GAAMAPTLMNACYP2C9
SCHEMBL4830972 0.80 ALDH1A1 (0.38) ALDH1A1GAAMAPTLMNACYP2C9
SCHEMBL4825819 0.79 POLB (0.43) ALDH1A1GAAMAPTLMNACYP2C19
SCHEMBL4833803 0.74 POLB (0.47) ALDH1A1MAPTLMNASMN1; SMN2MEN1
SCHEMBL4834402 0.73 ALDH1A1 (0.49) ALDH1A1MAPTLMNACYP2C9SMN1; SMN2
SCHEMBL4826056 0.73 ATM (0.40) ALDH1A1GAAMAPTLMNAALOX12
SCHEMBL4831332 0.72 ALDH1A1 (0.51) ALDH1A1GAAMAPTLMNACYP2C9
SCHEMBL4830836 0.72 MAPT (0.51) ALDH1A1GAAMAPTLMNAALOX12
SCHEMBL4828887 0.71 MEN1 (0.46) GAAMAPTLMNASMN1; SMN2KDM4E
SCHEMBL4829022 0.71 MAPT (0.49) ALDH1A1MAPTLMNACYP2C9CYP2C19

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 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 ALDH1A1 906/4885GAA 3329/4885MAPT 2499/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR ALDH1A1 1144/4885GAA 4356/4885MAPT 2424/4885

“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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