SCHEMBL6286384

SCHEMBL6286384

COc1ccc(-c2nc3cncnc3[nH]2)cc1NC(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.45
CCND1 P24385 1/20 0.45
VCP P55072 1/20 0.44
AMY1A P0DUB6 1/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
GUSB P08236 2/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 2/20 0.41
TP53 P04637 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
CYP1A1 P04798 1/20 0.41

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
SCHEMBL11236954 0.85 KDM4E (0.57) CDK4CCND1AMY1AALDH1A1KDM4E
SCHEMBL6286122 0.85 CDK4 (0.49) CDK4CCND1VCPAMY1AALDH1A1
SCHEMBL6283094 0.84 PARP1 (0.49) ALDH1A1KDM4EGUSBHPGDPDE4A
SCHEMBL6282536 0.82 ALDH1A1 (0.68) VCPAMY1AALDH1A1KDM4EHPGD
SCHEMBL6283028 0.81 ALDH1A1 (0.49) VCPAMY1AALDH1A1KDM4EGUSB
SCHEMBL6286108 0.81 AMY1A (0.38) CDK4CCND1VCPAMY1AALDH1A1
SCHEMBL6284223 0.80 VCP (0.44) CDK4CCND1VCPAMY1AALDH1A1
SCHEMBL6283098 0.80 KDM4E (0.46) ALDH1A1KDM4EGUSBHPGDMEN1
SCHEMBL6286100 0.80 KMT2A (0.47) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL6286020 0.80 VCP (0.48) CDK4CCND1VCPAMY1AALDH1A1

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.