SCHEMBL31702261

SCHEMBL31702261

COc1nccc2c(Oc3ccc(SC)cc3)c(C#N)cnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 5/20 0.40
▸ SRC P12931 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ NPBWR1 P48145 3/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.34
▸ RXFP1 Q9HBX9 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34

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
SCHEMBL31700843 0.81 MAPT (0.38) SRCALDH1A1L3MBTL1MAPK1MEN1
SCHEMBL31700945 0.75 SLC6A4 (0.41) ALDH1A1L3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL26864347 0.73 GAA (0.35) ALDH1A1L3MBTL1MAPK1MEN1KMT2A
SCHEMBL30666122 0.73 MAP2K1 (0.36) MAP2K1SRCALDH1A1L3MBTL1MAPK1
SCHEMBL26656463 0.73 MAP2K1 (0.36) MAP2K1SRCALDH1A1L3MBTL1MAPK1
SCHEMBL26656444 0.72 L3MBTL1 (0.38) SRCL3MBTL1MAPK1KMT2AMAPT
SCHEMBL31701113 0.67 EGFR (0.36) SRCEGFR
SCHEMBL25463298 0.64 HCRTR1 (0.39) ALDH1A1L3MBTL1MAPK1MEN1KMT2A
SCHEMBL31700675 0.64 CSF1R (0.38) MEN1KMT2ANPC1RAB9ACYP1A2
SCHEMBL30161246 0.63 SLC6A3 (0.43) MAP2K1SRCMEN1KMT2AMAPT

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-20250320204-A1 7-AZA BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC (US) 2025-10-16 — — 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-20250320204-A1 7-AZA BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS ENPP1, ENPP3, PDE7A MAP2K1 2581/4885SRC 3639/4885ALDH1A1 745/4885

“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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