SCHEMBL14546013

SCHEMBL14546013

Bc1cnn2c(NCCNS(=O)(=O)c3ccc(Oc4ccccc4)cc3)cc(-c3ccccc3Cl)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 5/20 0.47
▸ CDK2 P24941 3/20 0.43
▸ MMP2 P08253 6/20 0.39
▸ CA12 O43570 5/20 0.39
▸ CA1 P00915 5/20 0.39
▸ CA2 P00918 5/20 0.39
▸ CA9 Q16790 5/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 3/20 0.38
▸ ADAMTS4 O75173 1/20 0.37
▸ MMP13 P45452 1/20 0.37
▸ MMP14 P50281 1/20 0.37
▸ ADAMTS5 Q9UNA0 1/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL13288997 0.92 ALDH1A1 (0.49) GSK3BCDK2ALDH1A1MAPTCYP1A2
SCHEMBL13289344 0.91 GSK3B (0.46) GSK3BCDK2MMP2ALDH1A1MAPT
SCHEMBL13289126 0.91 GSK3B (0.47) GSK3BCDK2ALDH1A1MAPTCYP1A2
SCHEMBL13289394 0.90 GSK3B (0.44) GSK3BCDK2ALDH1A1MAPTCYP1A2
SCHEMBL13121311 0.90 GSK3B (0.57) GSK3BCDK2MMP2CA12CA1
SCHEMBL13289118 0.89 GSK3B (0.56) GSK3BCDK2ALDH1A1MAPTCYP1A2
SCHEMBL13289272 0.89 GSK3B (0.48) GSK3BCDK2ALDH1A1MAPTCYP1A2
SCHEMBL13289385 0.88 GSK3B (0.47) GSK3BCDK2ALDH1A1MAPTCYP1A2
SCHEMBL12954317 0.87 GSK3B (0.45) GSK3BCDK2ALDH1A1MAPTCYP1A2
SCHEMBL13289384 0.87 GSK3B (0.47) GSK3BCDK2ALDH1A1MAPTCYP1A2

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
WO-2007044449-A2 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2007-04-19 — — WO disclosed
US-20070054906-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-03-08 — — 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-20070054906-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A GSK3B 695/4885CDK2 1/4885MMP2 3802/4885

“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