SCHEMBL20084047

SCHEMBL20084047

C=C(C#N)C(=O)c1cc2cc(O)c(Br)cc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 2/20 0.43
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ FLT3 P36888 2/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ KIT P10721 1/20 0.33
▸ BCR P11274 1/20 0.33
▸ SMAD3 P84022 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ PKM P14618 1/20 0.31

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
SCHEMBL20084046 0.82 GRIN2D (0.41) FLT3PDGFRB
SCHEMBL20084276 0.82 EIF4A3 (0.41) GPR35
SCHEMBL18332470 0.79 FLT3 (0.30) FLT3
SCHEMBL18331683 0.77 NPSR1 (0.40) GPR35MAPT
SCHEMBL20084975 0.77 PDE10A (0.31) —
SCHEMBL18332229 0.76 POLB (0.36) MAPT
SCHEMBL18331842 0.76 SRD5A1 (0.30) —
SCHEMBL20084909 0.76 PYGL (0.32) —
SCHEMBL18332149 0.76 GPR35 (0.44) GPR35CA12CA1CA2CA9
SCHEMBL16015322 0.74 FLT3 (0.57) FLT3PDGFRBMAPT

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 3 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

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 GPR35 399/4885CA12 4725/4885CA1 4757/4885

“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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