SCHEMBL7782104

SCHEMBL7782104

Cc1nc2c(c(=O)[nH]1)SCC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 3/20 0.56
▸ PARP15 Q460N3 1/20 0.56
▸ PARP3 Q9Y6F1 1/20 0.56
▸ TNKS2 Q9H2K2 2/20 0.40
▸ TNKS O95271 1/20 0.40
▸ WNT3A P56704 1/20 0.40
▸ PARP2 Q9UGN5 1/20 0.40
▸ TYMS P04818 5/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ HSD17B10 Q99714 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
SCHEMBL7784771 0.89 PARP1 (0.50) PARP1PARP15PARP3TNKS2TNKS
SCHEMBL9879495 0.77 ALDH1A1 (0.41) PARP1PARP15PARP3TNKS2TNKS
SCHEMBL421328 0.71 PARP1 (1.00) PARP1PARP15PARP3TNKS2TNKS
SCHEMBL9377703 0.71 PARP1 (0.38) PARP1PARP15PARP3TNKS2SMN1; SMN2
SCHEMBL9878899 0.70 MEN1 (0.53) PARP1TNKS2TNKSWNT3APARP2
SCHEMBL18711836 0.68 PARP1 (0.62) PARP1PARP15PARP3TYMSSMN1; SMN2
SCHEMBL4738751 0.66 ALDH1A1 (0.53) PARP1TNKS2TNKSWNT3APARP2
SCHEMBL14627846 0.66 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1L3MBTL1MAPK1HTT
SCHEMBL10150407 0.65 PARP1 (0.59) PARP1PARP15PARP3SMN1; SMN2CYP1A2
SCHEMBL7781358 0.65 ALDH1A1 (0.39) PARP1TNKS2TNKSWNT3APARP2

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
WO-2020249717-A1 CASEIN KINASE 1 INHIBITORS FOR USE IN THE TREATMENT OF DISEASES RELATED TO DUX4 EXPRESSION SUCH AS MUSCULAR DYSTROPHY AND CANCER Facio Intellectual Property B.V. (NL) 2020-12-17 — — WO disclosed
US-8067591-B2 Pyrrolopyrazole, potent kinase inhibitors AGOURON PHARMACEUTICALS, INC. (US) 2011-11-29 — — US disclosed
US-20100222342-A1 PYRROLOPYRAZOLE, POTENT KINASE INHIBITORS ZHANG JUNHU 2010-09-02 — — US disclosed
EP-1142881-A1 POLY(ADP-RIBOSE) POLYMERASE INHIBITORS CONSISTING OF PYRIMIDINE DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2001-10-10 — — 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-20100222342-A1 PYRROLOPYRAZOLE, POTENT KINASE INHIBITORS PAK4, PAK5, PAK3 PARP1 1282/4885PARP15 779/4885PARP3 529/4885

“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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