SCHEMBL18332149

SCHEMBL18332149

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 2/20 0.44
▸ CA12 O43570 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ MAPT P10636 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ FLT3 P36888 2/20 0.33
▸ IDO1 P14902 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
▸ AR P10275 1/20 0.33
▸ SMAD3 P84022 1/20 0.33
▸ PLG P00747 1/20 0.32
▸ PLAU P00749 1/20 0.32

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
SCHEMBL18331896 0.81 GRIN2D (0.42) MAPTFLT3PDGFRB
SCHEMBL18332208 0.78 LMNA (0.37) FLT3
SCHEMBL18332153 0.76 SRD5A1 (0.31) —
SCHEMBL20084047 0.76 GPR35 (0.43) GPR35CA12CA1CA2CA9
SCHEMBL10002693 0.76 POLB (0.40) CA2MAPT
SCHEMBL18332384 0.76 SMN1; SMN2 (0.39) MAPTPDGFRB
SCHEMBL10003921 0.74 RXFP1 (0.50) PDGFRB
SCHEMBL5160064 0.73 IDO1 (0.60) MAPTFLT3IDO1PDGFRBAR
SCHEMBL29500525 0.73 IDO1 (0.60) MAPTFLT3IDO1PDGFRBAR
SCHEMBL10003408 0.72 PIN1 (0.60) FLT3IDO1PDGFRB

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-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
US-20180362509-A1 AMINOPYRAZOLE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2018-12-20 — — 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 (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-10479780-B2 Aminopyrazole derivatives SRC, GRK2, GRK3 GPR35 399/4885CA12 4725/4885CA1 4757/4885
US-20180362509-A1 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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