SCHEMBL4833680

SCHEMBL4833680

COc1ccc(C2N=c3occc3=C(N)N2c2ccc(N)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.46
▸ MAPT P10636 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TDP1 Q9NUW8 3/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ TP53 P04637 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ HSD11B1 P28845 1/20 0.34
▸ CYP2C9 P11712 1/20 0.33

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
SCHEMBL4833641 0.96 ALDH1A1 (0.49) ALDH1A1MAPTKDM4EMEN1LMNA
SCHEMBL4829270 0.91 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4836547 0.89 ALDH1A1 (0.43) ALDH1A1MAPTKDM4ETDP1MAPK1
SCHEMBL4826532 0.89 ALDH1A1 (0.43) ALDH1A1MAPTKDM4ETDP1MAPK1
SCHEMBL4829331 0.89 ALDH1A1 (0.43) ALDH1A1MAPTKDM4EMEN1LMNA
SCHEMBL4835851 0.89 ALDH1A1 (0.43) ALDH1A1TDP1SMN1; SMN2TP53HSD17B10
SCHEMBL4831211 0.89 ALDH1A1 (0.43) ALDH1A1MAPTKDM4ELMNATDP1
SCHEMBL4833743 0.88 ALDH1A1 (0.43) ALDH1A1MAPTKDM4EMAPK1TP53
SCHEMBL4836553 0.88 ALDH1A1 (0.43) ALDH1A1MAPTKDM4EMAPK1TP53
SCHEMBL4829029 0.88 ALDH1A1 (0.43) ALDH1A1MAPTKDM4EKMT2AMAPK1

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 3 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

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 906/4885MAPT 2499/4885KDM4E 580/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR ALDH1A1 1144/4885MAPT 2424/4885KDM4E 202/4885

“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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