SCHEMBL6286122

SCHEMBL6286122

COc1ccc(-c2nc3cccnc3[nH]2)cc1NC(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.49
CCND1 P24385 1/20 0.49
VCP P55072 1/20 0.48
GUSB P08236 2/20 0.48
AMY1A P0DUB6 1/20 0.48
TP53 P04637 2/20 0.46
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 4/20 0.46
KDM4E B2RXH2 3/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CYP1A1 P04798 2/20 0.46
CYP1B1 Q16678 2/20 0.46
HPSE Q9Y251 3/20 0.46
MAPT P10636 4/20 0.44
THRB P10828 2/20 0.43
CYP1A2 P05177 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
SCHEMBL6286384 0.85 CDK4 (0.45) CDK4CCND1VCPGUSBAMY1A
SCHEMBL6284223 0.85 VCP (0.44) CDK4CCND1VCPGUSBAMY1A
SCHEMBL6286020 0.84 VCP (0.48) CDK4CCND1VCPAMY1ATP53
SCHEMBL6283126 0.84 PARP1 (0.52) GUSBAMY1AALDH1A1KDM4ECYP1A1
SCHEMBL6282536 0.82 ALDH1A1 (0.68) VCPAMY1AKMT2AALDH1A1KDM4E
SCHEMBL6283130 0.80 KDM4E (0.46) CDK4CCND1GUSBKMT2AALDH1A1
SCHEMBL6288129 0.80 MAPT (0.41) CDK4CCND1VCPAMY1ATP53
SCHEMBL6283028 0.79 ALDH1A1 (0.49) VCPGUSBAMY1AKMT2AALDH1A1
SCHEMBL6288128 0.79 KMT2A (0.52) KMT2AALDH1A1MEN1KDM4ELMNA
SCHEMBL2624651 0.78 HPSE (0.64) TP53KMT2AALDH1A1MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040014759-A1 6,5-Fused bicyclic heterocycles PICARD JOSEPH ARMAND (US) 2004-01-22 US claimed
EP-1294718-A2 6,5-FUSED BICYCLIC HETEROCYCLES WARNER-LAMBERT COMPANY LLC (US) 2003-03-26 EP claimed
WO-2001096336-A2 6,5-FUSED BICYCLIC HETEROCYCLES WARNER-LAMBERT COMPANY (US) 2001-12-20 WO claimed
US-6943174-B2 6,5-Fused bicyclic heterocycles WARNER-LAMBERT COMPANY (US) 2005-09-13 US disclosed
US-20040014759-A1 6,5-Fused bicyclic heterocycles PICARD JOSEPH ARMAND (US) 2004-01-22 US disclosed
EP-1294718-A2 6,5-FUSED BICYCLIC HETEROCYCLES WARNER-LAMBERT COMPANY LLC (US) 2003-03-26 EP disclosed
WO-2001096336-A2 6,5-FUSED BICYCLIC HETEROCYCLES WARNER-LAMBERT COMPANY (US) 2001-12-20 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 (1 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-20040014759-A1 6,5-Fused bicyclic heterocycles ALOX15, ALOX5, ALOX15B CDK4 1947/4885CCND1 1173/4885VCP 4841/4885

“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.