SCHEMBL14324145

SCHEMBL14324145

O=c1[nH]c2ccccc2c2c[nH]nc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 6/20 0.57
▸ KDM4E B2RXH2 7/20 0.55
▸ ALDH1A1 P00352 6/20 0.55
▸ GPR3 P46089 2/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ LMNA P02545 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ TNKS O95271 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ BLM P54132 1/20 0.55
▸ PMP22 Q01453 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ PARP15 Q460N3 1/20 0.55
▸ TNKS2 Q9H2K2 1/20 0.55
▸ CA12 O43570 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ CHEK1 O14757 1/20 0.47
▸ MAPT P10636 2/20 0.46
▸ IDE P14735 1/20 0.46
▸ MPI P34949 1/20 0.46

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
SCHEMBL30539933 1.00 PARP1 (0.57) PARP1KDM4EALDH1A1GPR3HSD17B10
SCHEMBL6046876 0.86 PARP1 (0.57) PARP1KDM4EALDH1A1GPR3HSD17B10
SCHEMBL27375337 0.77 PTGES (0.45) PARP1KDM4EALDH1A1HSD17B10MEN1
SCHEMBL26907188 0.73 ALDH1A1 (0.52) PARP1KDM4EALDH1A1GPR3HSD17B10
SCHEMBL30136559 0.73 ALDH1A1 (0.52) PARP1KDM4EALDH1A1GPR3HSD17B10
SCHEMBL17293 0.72 PARP1 (1.00) PARP1KDM4EALDH1A1GPR3HSD17B10
SCHEMBL29593478 0.72 PARP1 (1.00) PARP1KDM4EALDH1A1GPR3HSD17B10
SCHEMBL31326568 0.72 PARP1 (1.00) PARP1KDM4EALDH1A1GPR3HSD17B10
SCHEMBL30090619 0.72 PARP1 (1.00) PARP1KDM4EALDH1A1GPR3HSD17B10
SCHEMBL27919701 0.72 MAPT (0.37) KDM4EALDH1A1GPR3HSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112521387-B NLRP3 modulators 先天肿瘤免疫公司 2023-08-22 — — CN disclosed
CN-112521387-A NLRP3 modulators 先天肿瘤免疫公司 2021-03-19 — — CN disclosed
CN-112074516-A NLRP3 modulators 先天肿瘤免疫公司 2020-12-11 — — CN disclosed
US-9499535-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2016-11-22 — — US disclosed
US-9499535-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2016-11-22 — — US disclosed
EP-2699572-B1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2016-08-10 — — EP disclosed
US-20120329785-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 — — US disclosed
US-20120329785-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 — — 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-20120329785-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK3 PARP1 3006/4885KDM4E 1843/4885ALDH1A1 4394/4885

“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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