SCHEMBL18331902

SCHEMBL18331902

CCOC(=O)c1cc2cc(OC(F)F)c(C3=CCN(C(=O)OC(C)(C)C)CC3)cc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 1/20 0.43
▸ PDK4 Q16654 1/20 0.42
▸ CNR1 P21554 1/20 0.42
▸ JAK1 P23458 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ ELANE P08246 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ PDE4B Q07343 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
SCHEMBL18332138 0.91 PDK4 (0.42) TNFPDK4CNR1JAK1KDM4E
SCHEMBL18332533 0.86 HRH3 (0.42) PDK4CNR1JAK1KDM4EALDH1A1
SCHEMBL29942132 0.80 CDK9 (0.44) PDK4CNR1JAK1KDM4EALDH1A1
SCHEMBL23755478 0.80 CDK9 (0.44) PDK4CNR1JAK1KDM4EALDH1A1
SCHEMBL17109184 0.80 KDM4E (0.52) CNR1JAK1KDM4EALDH1A1HPGD
SCHEMBL18331906 0.80 PDE4D (0.46) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL29942289 0.78 PDK4 (0.52) PDK4CNR1JAK1KDM4EALDH1A1
SCHEMBL23756013 0.78 PDK4 (0.52) PDK4CNR1JAK1KDM4EALDH1A1
SCHEMBL16755813 0.78 TNF (0.53) TNFPDK4CNR1JAK1CDK9
SCHEMBL4339476 0.74 CNR1 (0.53) TNFPDK4CNR1JAK1PDE4D

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 TNF 4881/4885PDK4 2299/4885CNR1 403/4885

“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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