SCHEMBL2365358

SCHEMBL2365358

COc1cc(N2CCN(C(=O)[C@H](C)O)CC2)ccc1Nc1ncc(Cl)c(-c2cnn3ccccc23)n1

nearest known ligand 0.84

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 16/20 0.84
CDK2 P24941 3/20 0.84
EGFR P00533 5/20 0.73
KCNH2 Q12809 8/20 0.72
CDK1 P06493 1/20 0.60
CYP3A4 P08684 1/20 0.60
MAPK1 P28482 1/20 0.60
CDK8 P49336 1/20 0.60
CDK7 P50613 1/20 0.60
CDK9 P50750 1/20 0.60
INSR P06213 1/20 0.59

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
SCHEMBL3378394 1.00 IGF1R (0.84) IGF1RCDK2EGFRKCNH2CDK1
SCHEMBL2361496 1.00 IGF1R (0.84) IGF1RCDK2EGFRKCNH2CDK1
SCHEMBL3310169 0.94 IGF1R (0.83) IGF1RCDK2EGFRKCNH2CYP3A4
SCHEMBL2351237 0.91 IGF1R (1.00) IGF1RCDK2EGFRKCNH2INSR
SCHEMBL2345721 0.89 IGF1R (0.85) IGF1RCDK2EGFRKCNH2INSR
SCHEMBL2346628 0.89 EGFR (0.67) IGF1RCDK2EGFRKCNH2CDK1
SCHEMBL3349646 0.89 EGFR (0.67) IGF1RCDK2EGFRKCNH2CDK1
SCHEMBL3310189 0.89 EGFR (0.67) IGF1RCDK2EGFRKCNH2CDK1
SCHEMBL2346279 0.89 IGF1R (0.89) IGF1RCDK2EGFRKCNH2CYP3A4
SCHEMBL2342901 0.87 IGF1R (0.65) IGF1RCDK2EGFRKCNH2CDK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206183-B2 Substituted pyrazolo[1,5-a]pyridines as JAK inhibitors ALMIRALL, S.A. (ES) 2015-12-08 US disclosed
US-20150118186-A1 PYRAZOLE DERIVATIVES AS JAK INHIBITORS ALMIRALL SA (ES) 2015-04-30 US disclosed
US-20140086870-A9 PYRAZOLE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2014-03-27 US disclosed
US-20130209400-A1 PYRAZOLE DERIVATIVES AS JAK INHIBITORS BACH TANA JORDI (ES) 2013-08-15 US disclosed
EP-2536728-A1 PYRAZOLE DERIVATIVES AS JAK INHIBITORS Almirall S.A. (ES) 2012-12-26 EP disclosed
WO-2011101161-A1 PYRAZOLE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2011-08-25 WO 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 (3 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-20150118186-A1 PYRAZOLE DERIVATIVES AS JAK INHIBITORS JAK1, JAK3, JAK2 IGF1R 1391/4885CDK2 292/4885EGFR 1117/4885
US-20130209400-A1 PYRAZOLE DERIVATIVES AS JAK INHIBITORS JAK1, JAK3, JAK2 IGF1R 1560/4885CDK2 89/4885EGFR 753/4885
US-20140086870-A9 PYRAZOLE DERIVATIVES AS JAK INHIBITORS JAK1, JAK3, JAK2 IGF1R 1560/4885CDK2 89/4885EGFR 753/4885

“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.