SCHEMBL5581664

SCHEMBL5581664

CNc1ncc2c(C3CCCCC3)ccc(OC)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 11/20 0.46
CCND1 P24385 11/20 0.46
CCNE1 P24864 7/20 0.46
CDK2 P24941 7/20 0.46
CDK1 P06493 6/20 0.46
CCNB1 P14635 6/20 0.46
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
HSD17B10 Q99714 1/20 0.37
AXL P30530 1/20 0.36
TYRO3 Q06418 1/20 0.36
MERTK Q12866 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
EHMT2 Q96KQ7 1/20 0.36
EHMT1 Q9H9B1 1/20 0.36
ALOX5AP P20292 1/20 0.36

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
SCHEMBL5581962 0.88 LRRK2 (0.41) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL5582157 0.77 CDK4 (0.35) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL5582174 0.75 CDK4 (0.44) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL5581805 0.74 NQO2 (0.43) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL26062928 0.72 KDM4E (0.40) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL5581584 0.71 CSNK2A1 (0.44) MERTKALOX5APFEN1
SCHEMBL28705020 0.70 IDO1 (0.46) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL5582243 0.70 IDO1 (0.42) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL5582088 0.70 PSMB5 (0.41) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL24715878 0.69 HTR1A (0.50) ALOX5APFEN1TNFLITAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070225308-A1 2-Amino Quinazoline Derivative KYOWA HAKKO KOGYO CO.,LTD. (JP) 2007-09-27 US disclosed
EP-1726584-A1 2-AMINOQUINAZOLINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-11-29 EP 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-20070225308-A1 2-Amino Quinazoline Derivative AGTR2, ABL1, AGTR1 CDK4 2372/4885CCND1 2892/4885CCNE1 1945/4885

“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.