SCHEMBL5453835

SCHEMBL5453835

O=C(Nc1n[nH]c2c1CN(c1ccnc(N3CCOCC3)n1)C2)c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 6/20 0.52
CDK2 P24941 6/20 0.52
CCNA1 P78396 6/20 0.52
NTRK1 P04629 3/20 0.46
NTRK3 Q16288 3/20 0.46
NTRK2 Q16620 3/20 0.46
EGFR P00533 1/20 0.46
ERBB3 P21860 1/20 0.46
RAB9A P51151 1/20 0.46
HDAC10 Q969S8 1/20 0.43
AURKA O14965 7/20 0.42
CTNNB1 P35222 1/20 0.42
TCF7L2 Q9NQB0 1/20 0.42
AURKB Q96GD4 1/20 0.42
ABL1 P00519 2/20 0.41
BCR P11274 2/20 0.41
PLK1 P53350 1/20 0.41
IGF1R P08069 1/20 0.41
LRRK2 Q5S007 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
SCHEMBL5456582 0.90 AURKA (0.52) CCNA2CDK2CCNA1NTRK1NTRK3
SCHEMBL5453857 0.88 CDK2 (0.53) CCNA2CDK2CCNA1NTRK1AURKA
SCHEMBL5451846 0.87 CDK2 (0.50) CCNA2CDK2CCNA1NTRK1AURKA
SCHEMBL5451960 0.87 CCNA2 (0.51) CCNA2CDK2CCNA1NTRK1NTRK3
SCHEMBL5453843 0.84 RAB9A (0.46) CDK2EGFRERBB3RAB9AHDAC10
SCHEMBL5448155 0.82 NPC1 (0.49) CCNA2CDK2CCNA1NTRK1NTRK3
SCHEMBL5454355 0.80 AURKA (0.51) CCNA2CDK2CCNA1NTRK1NTRK3
SCHEMBL5447000 0.80 CCNA2 (0.56) CCNA2CDK2CCNA1NTRK1AURKA
SCHEMBL5454686 0.80 CCNA2 (0.53) CCNA2CDK2CCNA1NTRK1AURKA
SCHEMBL5456511 0.80 CCNA2 (0.56) CCNA2CDK2CCNA1NTRK1AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070037790-A1 Bicyclo-pyrazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2007-02-15 US claimed

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-20070037790-A1 Bicyclo-pyrazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K15, MAP3K7, MAP3K19 CCNA2 1123/4885CDK2 65/4885CCNA1 915/4885

“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.