SCHEMBL10749116

SCHEMBL10749116

O=C(O)c1nc(-c2ccccc2)c2ccccc2n1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.57
▸ PDE10A Q9Y233 2/20 0.56
▸ DHODH Q02127 2/20 0.56
▸ LMNA P02545 1/20 0.56
▸ ADORA2A P29274 1/20 0.55
▸ NUDT1 P36639 1/20 0.55
▸ TSHR P16473 1/20 0.54

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
SCHEMBL1289752 0.86 SCN9A (0.80) SCN9ADHODH
SCHEMBL10986022 0.86 SCN9A (0.76) SCN9AADORA2ANUDT1
SCHEMBL24108915 0.80 DHODH (0.58) DHODHLMNA
SCHEMBL13585802 0.80 CYP3A4 (0.56) SCN9ATSHR
SCHEMBL16150896 0.78 ADORA2A (0.60) SCN9ALMNAADORA2A
SCHEMBL29010437 0.78 KMT2A (0.61) —
SCHEMBL14281527 0.78 TACR3 (0.58) LMNA
SCHEMBL12749845 0.78 SCN9A (0.52) SCN9ALMNA
SCHEMBL8069465 0.78 SCN9A (0.81) SCN9ALMNA
SCHEMBL10990332 0.77 TACR3 (0.51) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3810596-B1 QUINOLINE DERIVATIVES USEFUL AS TYROSINE KINASE INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2022-11-30 — — EP disclosed
EP-3810596-A1 QUINOLINE DERIVATIVES USEFUL AS TYROSINE KINASE INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2021-04-28 — — EP disclosed
US-20210078990-A1 TYROSINE KINASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2021-03-18 — — US disclosed
US-20210078990-A1 TYROSINE KINASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2021-03-18 — — US disclosed
CN-112513030-A Quinoline derivatives as tyrosine kinase inhibitors 里格尔药品股份有限公司 2021-03-16 — — CN disclosed
US-10851093-B2 Tyrosine kinase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2020-12-01 — — US disclosed
US-10851093-B2 Tyrosine kinase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2020-12-01 — — US disclosed
US-4639454-A LYMPHOID LEUKEMIA E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-01-27 — — US disclosed
US-4639454-A LYMPHOID LEUKEMIA E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-01-27 — — US disclosed
US-4499094-A PREVENTION OF RESPIRATORY, UROGENITAL, CARDIOVASCULAR AND IMMUNOLOGICAL DISORDERS WHEN USING FOR BENZDIAPINES PHARMUKA LABORATOIRES (FR) 1985-02-12 — — 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 (2 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-10851093-B2 Tyrosine kinase inhibitors TYRO3, RET, AXL SCN9A 2061/4885PDE10A 1031/4885DHODH 2963/4885
US-20210078990-A1 TYROSINE KINASE INHIBITORS TYRO3, RET, AXL SCN9A 2061/4885PDE10A 1031/4885DHODH 2963/4885

“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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