SCHEMBL4521702

SCHEMBL4521702

CC1(C)NCc2c1nn(C(=O)O)c2NC(=O)c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 10/20 0.41
CDK2 P24941 10/20 0.41
CCNA1 P78396 10/20 0.41
NTRK1 P04629 3/20 0.40
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
MITF O75030 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
Hydrochloric Acid SCHEMBL17956348 0.99 CCNA2 (0.41) CCNA2CDK2CCNA1NTRK1KDM4E
SCHEMBL1206401 0.86 MAPT (0.43) CCNA2CDK2CCNA1NTRK1KDM4E
Hydrochloric Acid SCHEMBL3457426 0.85 MAPT (0.42) CCNA2CDK2CCNA1NTRK1KDM4E
SCHEMBL4522556 0.85 ALDH1A1 (0.41) LMNASMN1; SMN2RAB9AALDH1A1CYP1A2
SCHEMBL4532323 0.82 KMT2A (0.42) KDM4EKMT2ASMN1; SMN2RAB9AMEN1
SCHEMBL4522782 0.81 CDK2 (0.43) CCNA2CDK2CCNA1NTRK1KDM4E
Hydrochloric Acid SCHEMBL17956349 0.80 CDK2 (0.45) CCNA2CDK2CCNA1NTRK1
SCHEMBL1205681 0.77 ALDH1A1 (0.43) CDK2NTRK1KDM4EKMT2ASMN1; SMN2
SCHEMBL12879095 0.76 ADORA3 (0.41) CCNA2CDK2CCNA1NTRK1SMN1; SMN2
SCHEMBL6532636 0.74 CDK2 (0.43) CCNA2CDK2CCNA1NTRK1SMN1; SMN2

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
EP-1979356-B1 CARBONYLAMINO PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PFIZER PROD INC (US) 2013-09-18 EP disclosed
US-20090318440-A1 CARBONYLAMINO PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PFIZER INC. 2009-12-24 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-20090318440-A1 CARBONYLAMINO PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PAK4, PAK5, PAK3 CCNA2 1698/4885CDK2 128/4885CCNA1 1207/4885

“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.