SCHEMBL32664129

SCHEMBL32664129

Cc1oc2cc(O)ccc2c1C(=O)NCC1CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.48
▸ KDM4E B2RXH2 4/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ GLA P06280 3/20 0.48
▸ CASP1 P29466 2/20 0.48
▸ CASP7 P55210 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SLC22A12 Q96S37 1/20 0.43
▸ MLLT1 Q03111 1/20 0.43
▸ HTR4 Q13639 1/20 0.43
▸ PKM P14618 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MCL1 Q07820 2/20 0.42
▸ BCL2 P10415 1/20 0.42
▸ BCL2L1 Q07817 1/20 0.42
▸ BCL2A1 Q16548 1/20 0.42
▸ HPGD P15428 2/20 0.42
▸ RIPK2 O43353 1/20 0.42

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
SCHEMBL32664128 0.82 PKM (0.52) GAAKDM4EALDH1A1GLACASP1
SCHEMBL5240417 0.82 CYP1A2 (0.53) GAAKDM4EALDH1A1GLACASP1
SCHEMBL5241082 0.81 GAA (0.49) GAAKDM4EALDH1A1GLACASP1
SCHEMBL944525 0.79 GAA (0.52) GAAKDM4EALDH1A1GLACASP1
SCHEMBL5241666 0.79 GAA (0.52) GAAKDM4EALDH1A1GLACASP1
SCHEMBL32664144 0.79 PKM (0.42) GAAKDM4EALDH1A1GLACASP1
SCHEMBL32664147 0.78 PKM (0.41) GAAKDM4EALDH1A1GLACASP1
SCHEMBL32664134 0.77 PKM (0.43) GAAKDM4EALDH1A1GLACASP1
SCHEMBL32664225 0.76 CNR2 (0.44) GAAKDM4EALDH1A1GLACASP1
SCHEMBL14409856 0.76 MAOB (0.49) MLLT1HTR4MCL1BCL2BCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260022125-A1 PYRROLOPYRIDAZINE VEGFR INHIBITORS MERCK SHARP & DOHME LLC (US) 2026-01-22 — — US 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-20260022125-A1 PYRROLOPYRIDAZINE VEGFR INHIBITORS FLT1, KDR, FLT4 GAA 4611/4885KDM4E 3048/4885ALDH1A1 397/4885

“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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