SCHEMBL18331939

SCHEMBL18331939

Cc1cc(Oc2cccc(Cl)c2)ncc1NN

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ MAPK10 P53779 1/20 0.44
▸ EGFR P00533 1/20 0.43
▸ PTGS1 P23219 2/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ MAP4K4 O95819 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ POLB P06746 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ BRAF P15056 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ BRCA1 P38398 1/20 0.39
▸ HBB P68871 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ GRM5 P41594 1/20 0.38

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
SCHEMBL18331940 0.85 MAP4K4 (0.42) MAPK10MAP4K4KDM4EPOLBHRH3
SCHEMBL16792742 0.84 LOXL2 (0.42) CYP1A2CYP2C9CYP2C19MAPK10KDM4E
SCHEMBL21572388 0.82 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19MAPK10EGFR
SCHEMBL18332247 0.81 KDM4E (0.36) CYP1A2CYP2C9CYP2C19MAPK10MAP4K4
SCHEMBL16792548 0.79 SCN9A (0.43) CYP1A2CYP2C9CYP2C19EGFRPTGS1
SCHEMBL18332224 0.78 MEN1 (0.39) CYP1A2CYP2C9CYP2C19PTGS1PTGS2
SCHEMBL18331722 0.77 KMT2A (0.45) MAPK10PTGS1PTGS2MAP4K4KDM4E
SCHEMBL18331936 0.76 KDM4E (0.49) CYP1A2CYP2C19MAPK10KDM4EPOLB
SCHEMBL18331947 0.76 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19EGFRPTGS1
SCHEMBL18331937 0.75 ORAI1 (0.39) CYP1A2CYP2C19MAPK10KDM4ESCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3312172-B1 AMINOPYRAZOLE DERIVATIVES USEFUL AS SRC KINASE INHIBITORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2020-05-06 — — EP disclosed
US-10479780-B2 Aminopyrazole derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2019-11-19 — — US disclosed
EP-3312172-A1 AMINOPYRAZOLE DERIVATIVES Chugai Seiyaku Kabushiki Kaisha (JP) 2018-04-25 — — EP disclosed
WO-2016204261-A1 AMINOPYRAZOLE DERIVATIVES 中外製薬株式会社 2016-12-22 — — 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 (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-10479780-B2 Aminopyrazole derivatives SRC, GRK2, GRK3 CYP1A2 418/4885CYP2C9 907/4885CYP2C19 972/4885

“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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