SCHEMBL22694397

SCHEMBL22694397

CCOc1nc(-c2ccccc2)c2ccccc2n1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.71
NUDT1 P36639 3/20 0.50
ADORA2A P29274 2/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
PRNP P04156 1/20 0.47
MAT2A P31153 1/20 0.47
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
ELANE P08246 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL1289759 0.84 SCN9A (1.00) SCN9A
SCHEMBL20610507 0.83 KMT2A (0.59) SCN9AMEN1KMT2AMAPTGAA
SCHEMBL28872949 0.83 SCN9A (0.52) SCN9ANUDT1ADORA2AMEN1KMT2A
SCHEMBL28023475 0.82 PDE5A (0.59) SCN9ANUDT1ADORA2AMEN1KMT2A
SCHEMBL10674090 0.81 NPC1 (0.54) SCN9AALDH1A1HPGD
SCHEMBL26314588 0.81 PRNP (0.67) SCN9ANUDT1ADORA2AMEN1KMT2A
Hydrochloric Acid SCHEMBL28023495 0.81 PDE5A (0.57) SCN9ANUDT1ADORA2AMEN1KMT2A
SCHEMBL27627952 0.79 SCN9A (0.51) SCN9ANUDT1MEN1KMT2AMAPT
SCHEMBL14964747 0.78 KMT2A (0.55) SCN9AMEN1KMT2AMAPTELANE
SCHEMBL3520696 0.78 SCN9A (0.48) SCN9AMEN1KMT2APRNPMAT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-10851093-B2 Tyrosine kinase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2020-12-01 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 2061/4885NUDT1 1757/4885ADORA2A 385/4885
US-20210078990-A1 TYROSINE KINASE INHIBITORS TYRO3, RET, AXL SCN9A 2061/4885NUDT1 1757/4885ADORA2A 385/4885

“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.