SCHEMBL14418847

SCHEMBL14418847

Bc1cnn2c(NCCNC(=O)c3cccc(NC(=O)Cl)c3)cc(-c3ccccc3O)nc12

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A1 P68400 1/20 0.36
▸ KISS1R Q969F8 5/20 0.36
▸ IKBKB O14920 1/20 0.34
▸ CDK2 P24941 3/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ GSK3B P49841 3/20 0.33
▸ FYN P06241 1/20 0.33
▸ PAX8 Q06710 1/20 0.33
▸ CAMK2D Q13557 1/20 0.33
▸ CDK4 P11802 1/20 0.33

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
SCHEMBL14043329 0.85 KISS1R (0.38) KISS1RIKBKBCDK2KDM1AHDAC1
SCHEMBL14418774 0.85 FYN (0.41) KISS1RGSK3BFYN
SCHEMBL12954206 0.85 ALDH1A1 (0.44) HDAC1
SCHEMBL14418842 0.81 KDM1A (0.43) CDK2KDM1AHDAC1GSK3B
SCHEMBL14581427 0.81 POLB (0.47) —
SCHEMBL14613372 0.80 HDAC1 (0.41) CDK2KDM1AHDAC1GSK3B
SCHEMBL14613373 0.79 EPHX2 (0.44) CDK2EPHX2HDAC1GSK3B
SCHEMBL14613482 0.79 GSK3B (0.42) CDK2GSK3B
SCHEMBL14545970 0.78 GSK3B (0.45) CDK2HDAC1GSK3B
SCHEMBL14545261 0.78 CDK2 (0.53) CDK2EPHX2GSK3B

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-20070225270-A1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-09-27 — — 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-20070225270-A1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDKN1A, CDK1 CSNK2A1 133/4885KISS1R 2135/4885IKBKB 312/4885

“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.

Send feedback