SCHEMBL491810

SCHEMBL491810

O=c1ncc2ccccc2[nH]1.c1cnc2ncccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.42
NUDT1 P36639 1/20 0.42
METAP2 P50579 1/20 0.41
METAP1 P53582 1/20 0.41
HSP90AA1 P07900 1/20 0.40
IDO1 P14902 1/20 0.40
CDK2 P24941 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
FGFR1 P11362 1/20 0.39
FLT1 P17948 1/20 0.39

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
SCHEMBL5413200 1.00 PARP1 (0.42) PARP1NUDT1METAP2METAP1HSP90AA1
SCHEMBL29371690 0.88 CA12 (0.48) HSP90AA1IDO1CDK2CA12CA1
SCHEMBL10417 0.88 CA12 (0.48) HSP90AA1IDO1CDK2CA12CA1
SCHEMBL28015378 0.88 CA12 (0.48) HSP90AA1IDO1CDK2CA12CA1
SCHEMBL29570997 0.86 CA12 (0.47) HSP90AA1IDO1CDK2CA12CA1
Benzene SCHEMBL29025391 0.86 CA12 (0.47) HSP90AA1IDO1CDK2CA12CA1
Phosphine SCHEMBL29179322 0.86 CA12 (0.47) HSP90AA1IDO1CDK2CA12CA1
Bromide SCHEMBL5616601 0.86 CA12 (0.47) HSP90AA1IDO1CDK2CA12CA1
SCHEMBL21358065 0.86 CA12 (0.47) HSP90AA1IDO1CDK2CA12CA1
Hydrochloric Acid SCHEMBL10501322 0.86 CA12 (0.47) HSP90AA1IDO1CDK2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11672786-B2 Methods of treating diseases associated with repeat instability THE HOSPITAL FOR SICK CHILDREN 2023-06-13 US claimed
US-20210283114-A1 METHODS OF TREATING DISEASES ASSOCIATED WITH REPEAT INSTABILITY OSAKA UNIVERSITY (JP) 2021-09-16 US claimed
EP-3496713-A1 METHODS OF TREATING DISEASES ASSOCIATED WITH REPEAT INSTABILITY The Hospital for Sick Children (CA) 2019-06-19 EP claimed
WO-2018029660-A1 METHODS OF TREATING DISEASES ASSOCIATED WITH REPEAT INSTABILITY THE HOSPITAL FOR SICK CHILDREN (CA) 2018-02-15 WO claimed
US-8105780-B2 Resonator sensor having capture molecule immobilised on surface (probe or mismatch binding molecule) AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-01-31 US claimed
US-20070037841-A1 Inhibitors JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2007-02-15 US claimed
EP-1604993-A1 INHIBITORS Japan Science and Technology Agency (JP) 2005-12-14 EP claimed
US-20050164236-A1 Device and method of detecting mutations and polymorphisms in DNA AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2005-07-28 US claimed
EP-3496713-B1 NAPHTHYRIDINE AZAQUINOLONE TO TREAT DISEASES ASSOCIATED WITH DNA REPEAT INSTABILITY HOSPITAL FOR SICK CHILDREN (CA) 2024-03-13 EP disclosed
US-11672786-B2 Methods of treating diseases associated with repeat instability THE HOSPITAL FOR SICK CHILDREN 2023-06-13 US disclosed
US-20210283114-A1 METHODS OF TREATING DISEASES ASSOCIATED WITH REPEAT INSTABILITY OSAKA UNIVERSITY (JP) 2021-09-16 US disclosed
EP-3496713-A1 METHODS OF TREATING DISEASES ASSOCIATED WITH REPEAT INSTABILITY The Hospital for Sick Children (CA) 2019-06-19 EP disclosed
WO-2018029660-A1 METHODS OF TREATING DISEASES ASSOCIATED WITH REPEAT INSTABILITY THE HOSPITAL FOR SICK CHILDREN (CA) 2018-02-15 WO disclosed
US-8105780-B2 Resonator sensor having capture molecule immobilised on surface (probe or mismatch binding molecule) AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-01-31 US disclosed
US-20070037841-A1 Inhibitors JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2007-02-15 US disclosed
US-20070037841-A1 Inhibitors JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2007-02-15 US disclosed
EP-1604993-A1 INHIBITORS Japan Science and Technology Agency (JP) 2005-12-14 EP disclosed
EP-1604993-A1 INHIBITORS Japan Science and Technology Agency (JP) 2005-12-14 EP disclosed
US-20050164236-A1 Device and method of detecting mutations and polymorphisms in DNA AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2005-07-28 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-20070037841-A1 Inhibitors REV1, RRBP1, NQO2 PARP1 1209/4885NUDT1 1137/4885METAP2 3006/4885

“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.