SCHEMBL4228993

SCHEMBL4228993

CCc1cnc(CCNC(=O)O)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 3/20 0.42
CCNE2 O96020 3/20 0.42
CDK1 P06493 3/20 0.42
CDK4 P11802 3/20 0.42
CCNB1 P14635 3/20 0.42
CCND1 P24385 3/20 0.42
CCNE1 P24864 3/20 0.42
CDK2 P24941 3/20 0.42
CCNB3 Q8WWL7 3/20 0.42
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
RXRA P19793 2/20 0.33
RXRB P28702 2/20 0.33
RXRG P48443 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
MTNR1A P48039 4/20 0.32
MTNR1B P49286 4/20 0.32
ALDH1A1 P00352 2/20 0.32
HTT P42858 1/20 0.32
HDAC3 O15379 1/20 0.32

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
SCHEMBL50534 0.88 CCNB2 (0.48) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL14396533 0.86 CCNB2 (0.41) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL13853450 0.85 CCNB2 (0.41) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL48657 0.78 L3MBTL1 (0.53) CCNE2CCNE1CDK2SMN1; SMN2HTT
SCHEMBL4232655 0.78 CCNB2 (0.42) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL12441277 0.74 CCNB2 (0.38) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL4234588 0.73 HTT (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1HTT
SCHEMBL12255302 0.71 CCNB2 (0.44) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL50579 0.71 CCNE2 (0.46) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL48713 0.71 CCNB2 (0.37) CCNB2CCNE2CDK1CDK4CCNB1

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-8354418-B2 Thiazolyl-dihydro-quinazolines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-15 US disclosed
US-20090131424-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-21 US disclosed
US-20070259855-A1 THIAZOLYL-DIHYDRO-INDAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-08 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-20070259855-A1 THIAZOLYL-DIHYDRO-INDAZOLE ROR1, RORB, RORA CCNB2 980/4885CCNE2 2327/4885CDK1 348/4885
US-20090131424-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE CYP3A7, UGT2B7, UGT1A7 CCNB2 944/4885CCNE2 1621/4885CDK1 314/4885

“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.