SCHEMBL4522782

SCHEMBL4522782

CC1(C)c2nn(C(=O)O)c(NC(=O)c3ccc(F)cc3)c2CN1C(=O)Cl

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 12/20 0.43
CCNA2 P20248 11/20 0.43
CCNA1 P78396 11/20 0.43
NTRK1 P04629 3/20 0.39
PAK4 O96013 1/20 0.37
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
KCNE1 P15382 1/20 0.36
KCNQ1 P51787 1/20 0.36
BACE1 P56817 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
P2RY14 Q15391 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
SCHEMBL1206281 0.87 ALDH1A1 (0.41) CDK2CCNA2CCNA1NTRK1PAK4
SCHEMBL6532636 0.82 CDK2 (0.43) CDK2CCNA2CCNA1NTRK1PAK4
SCHEMBL12892427 0.81 CDK2 (0.40) CDK2CCNA2CCNA1NTRK1PAK4
SCHEMBL4521702 0.81 CCNA2 (0.41) CDK2CCNA2CCNA1NTRK1ALDH1A1
Hydrochloric Acid SCHEMBL17956348 0.80 CCNA2 (0.41) CDK2CCNA2CCNA1NTRK1ALDH1A1
SCHEMBL4516226 0.79 TSHR (0.31)
SCHEMBL1205765 0.79 ALDH1A1 (0.41) CDK2CCNA2CCNA1NTRK1PAK4
SCHEMBL1204698 0.78 CCNA2 (0.39) CDK2CCNA2CCNA1KCNQ3KCNQ2
SCHEMBL1205098 0.75 CDK2 (0.42) CDK2CCNA2CCNA1NTRK1PAK4
SCHEMBL1205756 0.74 MEN1 (0.42) CDK2NPC1ALDH1A1RAB9AKMT2A

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 CDK2 128/4885CCNA2 1698/4885CCNA1 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.