SCHEMBL557415

SCHEMBL557415

Clc1csc(-c2ncccn2)n1

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 20/20 0.56

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
SCHEMBL12446486 0.78 GFER (0.34) CYP19A1
SCHEMBL28231871 0.72 ADORA2A (0.46)
SCHEMBL27820489 0.70 KDM4E (0.53) CYP19A1
SCHEMBL28232733 0.70 KDM4E (0.59) CYP19A1
SCHEMBL23525582 0.69 CYP19A1 (0.47) CYP19A1
SCHEMBL5252118 0.69 HTR2B (0.53) CYP19A1
SCHEMBL1995375 0.69 HPGDS (0.59) CYP19A1
SCHEMBL5252113 0.69 CYP19A1 (0.47) CYP19A1
SCHEMBL149587 0.68
SCHEMBL14736462 0.67 CYP19A1 (0.45) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108373476-B Kinase inhibitor and preparation and application thereof 成都地奥制药集团有限公司 2021-06-01 CN disclosed
US-9271979-B2 Deuterium-enriched pyrimidine compounds and derivatives DHANOA DALJIT SINGH (US) 2016-03-01 US disclosed
US-9271980-B2 Deuterium-enriched pyrimidine compounds and derivatives DHANOA DALJIT SINGH (US) 2016-03-01 US disclosed
US-8618116-B2 Deuterium-enriched pyrimidine compounds and derivatives DHANOA DALJIT SINGH (US) 2013-12-31 US disclosed
US-20130040957-A1 Deuterium-Enriched Pyrimidine Compounds and Derivatives Dhanoa, Daljit Singh (US) 2013-02-14 US disclosed
US-20120035191-A1 Deuterium-enriched pyrimidine compounds and derivatives DHANOA DALJIT SINGH (US) 2012-02-09 US disclosed
US-20110028496-A1 Deuterium-enriched pyrimidine compounds and derivatives DHANOA DALJIT SINGH 2011-02-03 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 (3 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-20110028496-A1 Deuterium-enriched pyrimidine compounds and derivatives DPYD, DHPS, DHODH CYP19A1 1037/4885
US-20120035191-A1 Deuterium-enriched pyrimidine compounds and derivatives DBH, OPRK1, PYGB CYP19A1 989/4885
US-20130040957-A1 Deuterium-Enriched Pyrimidine Compounds and Derivatives HTR2C, HTR2A, HTR5A CYP19A1 549/4885

“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.