SCHEMBL19100643

SCHEMBL19100643

N#Cc1cnc(Cl)nc1-n1nc(C(F)(F)F)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 1/20 0.41
▸ CYP11B2 P19099 2/20 0.41
▸ CYP19A1 P11511 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP11B1 P15538 1/20 0.39
▸ CSNK1A1 P48729 1/20 0.37
▸ CLK4 Q9HAZ1 1/20 0.37
▸ XPO1 O14980 1/20 0.36
▸ MALT1 Q9UDY8 3/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ MAPT P10636 3/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ IMPDH2 P12268 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL19100325 0.84 PIN1 (0.41) PIN1CSNK1A1CLK4ALDH1A1MAPT
SCHEMBL19100636 0.84 CYP11B2 (0.44) CYP11B2CYP19A1CYP2C9CYP11B1XPO1
SCHEMBL19100430 0.83 CYP11B2 (0.44) CYP11B2CYP19A1CYP2C9CYP11B1XPO1
SCHEMBL19100753 0.82 CSNK1A1 (0.49) PIN1CYP2C9CSNK1A1CLK4ALDH1A1
SCHEMBL22695443 0.82 PIN1 (0.41) PIN1CYP11B2CYP19A1CYP2C9CYP11B1
SCHEMBL28619153 0.78 MAPT (0.42) PIN1CYP2C9CSNK1A1CLK4ALDH1A1
SCHEMBL19100394 0.76 PIN1 (0.40) PIN1CYP11B2CYP11B1CSNK1A1CLK4
SCHEMBL19100647 0.74 PIN1 (0.45) PIN1CSNK1A1CLK4ALDH1A1NPSR1
SCHEMBL19100758 0.73 CYP11B2 (0.43) CYP11B2CYP19A1CYP2C9CYP11B1XPO1
SCHEMBL28612373 0.72 PIN1 (0.41) PIN1CSNK1A1CLK4ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3399968-B1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS PHARMATECH LTD (KY) 2021-10-20 — — EP disclosed
US-10435388-B2 Selective inhibitors of clinically important mutants of the EGFR tyrosine kinase CS PHARMATECH LIMITED (KY) 2019-10-08 — — US disclosed
US-20190023689-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE HIGH GREAT INVESTMENT LIMITED (HK) 2019-01-24 — — US disclosed
EP-3399968-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS Pharmatech Limited (KY) 2018-11-14 — — EP disclosed
WO-2017120429-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS Pharmasciences, Inc. (US) 2017-07-13 — — 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 (2 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-10435388-B2 Selective inhibitors of clinically important mutants of the EGFR tyrosine kinase EGFR, ERBB3, ERBB2 PIN1 768/4885CYP11B2 2281/4885CYP19A1 588/4885
US-20190023689-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE EGFR, ERBB3, ERBB2 PIN1 768/4885CYP11B2 2281/4885CYP19A1 588/4885

“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.

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