SCHEMBL5451831

SCHEMBL5451831

O=C(Nc1[nH]nc2c1CN(c1ccnc(N3CCC(CO)CC3)n1)C2)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.42
CCNE1 P24864 5/20 0.42
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CCND3 P30281 1/20 0.38
CDK7 P50613 1/20 0.38
CCNH P51946 1/20 0.38
MNAT1 P51948 1/20 0.38
CDK6 Q00534 1/20 0.38
KDM4E B2RXH2 3/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CCNA2 P20248 4/20 0.36
CCNA1 P78396 4/20 0.36
SCN9A Q15858 1/20 0.35
CTNNB1 P35222 1/20 0.35
TCF7L2 Q9NQB0 1/20 0.35
CHIT1 Q13231 1/20 0.35

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
SCHEMBL5446059 0.90 AURKA (0.36) KDM4EPOLBKMT2ACHIT1ALDH1A1
SCHEMBL5453832 0.90 ALDH1A1 (0.43) CDK2CCNE1CDK4CCND1CCND3
SCHEMBL5451959 0.88 CDK2 (0.43) CDK2CCNE1KDM4ECCNA2CCNA1
SCHEMBL5453843 0.86 RAB9A (0.46) CDK2CCNE1CTNNB1TCF7L2HTT
SCHEMBL5451846 0.86 CDK2 (0.50) CDK2CCNE1CCNA2CCNA1
SCHEMBL5449478 0.83 DGAT1 (0.45) POLBKMT2ANPSR1SCN9AHTT
SCHEMBL5451776 0.81 GAA (0.36) CDK2CCNE1KDM4EPOLBKMT2A
SCHEMBL5454692 0.80 HRH4 (0.39) CDK2CCNE1KMT2ACCNA2CCNA1
SCHEMBL5447010 0.79 KMT2A (0.39) CDK2MEN1KMT2ACCNA2CCNA1
SCHEMBL5454400 0.78 ACHE (0.39) CDK2POLBKMT2ACCNA2CCNA1

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-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
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 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-20070037790-A1 Bicyclo-pyrazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K15, MAP3K7, MAP3K19 CDK2 65/4885CCNE1 951/4885CDK4 116/4885

“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.