SCHEMBL29623779

SCHEMBL29623779

COc1ccnc(CCc2nc3cccnc3[nH]2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 14/20 0.67
NOS1 P29475 12/20 0.67
CYP2C9 P11712 2/20 0.67
NOS3 P29474 9/20 0.57
PDE10A Q9Y233 1/20 0.42
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CCNB2 O95067 2/20 0.40
CDK1 P06493 2/20 0.40
CCNB1 P14635 2/20 0.40
CCNB3 Q8WWL7 2/20 0.40
RIPK1 Q13546 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
CYP1A2 P05177 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
SCHEMBL29798899 1.00 NOS2 (0.67) NOS2NOS1CYP2C9NOS3PDE10A
SCHEMBL231090 1.00 NOS2 (0.67) NOS2NOS1CYP2C9NOS3PDE10A
SCHEMBL4863062 0.84 NOS2 (0.57) NOS2NOS1CYP2C9NOS3PDE10A
SCHEMBL2981397 0.84 NOS2 (0.48) NOS2NOS1CYP2C9NOS3PDE10A
SCHEMBL5033970 0.84 NOS2 (0.67) NOS2NOS1CYP2C9NOS3
SCHEMBL4662911 0.84 NOS2 (0.58) NOS2NOS1CYP2C9NOS3NPC1
SCHEMBL5036979 0.83 NOS2 (0.55) NOS2NOS1CYP2C9NOS3PDE10A
SCHEMBL5036437 0.83 NOS2 (0.58) NOS2NOS1CYP2C9NOS3PDE10A
SCHEMBL5041184 0.82 NOS2 (0.69) NOS2NOS1CYP2C9NOS3SMN1; SMN2
SCHEMBL2835954 0.82 NOS2 (0.54) NOS2NOS1CYP2C9NOS3PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4709378-A1 COMPOUNDS FOR NOS-RELATED CANCERS AND METHODS OF USE Yissum Research Development Company of the Hebrew University of Jerusalem Ltd. (IL) 2026-03-18 EP claimed
WO-2024231899-A1 COMPOUNDS FOR NOS-RELATED CANCERS AND METHODS OF USE YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2024-11-14 WO claimed
EP-4709378-A1 COMPOUNDS FOR NOS-RELATED CANCERS AND METHODS OF USE Yissum Research Development Company of the Hebrew University of Jerusalem Ltd. (IL) 2026-03-18 EP disclosed
WO-2025122600-A1 COMPOSITIONS AND METHODS FOR TREATING ABERRANT NITROSYLATION CASE WESTERN RESERVE UNIVERSITY (US) 2025-06-12 WO disclosed
US-12209094-B2 CCR2 receptor antagonists and uses thereof CENTREXION THERAPEUTICS CORPORATION (US) 2025-01-28 US disclosed
US-12163161-B2 In vitro method for identifying thoracic aortic aneurysms (TAA) in a subject CENTRO NACIONAL DE INVESTIGACIONES CARDIOVASCULARES CARLOS III (F.S.P.) (ES) 2024-12-10 US disclosed
WO-2024231899-A1 COMPOUNDS FOR NOS-RELATED CANCERS AND METHODS OF USE YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2024-11-14 WO disclosed
US-20240109909-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2024-04-04 US disclosed
US-11931325-B2 Hair-growth promoting composition and usage thereof EADERM CO., LTD. (JP) 2024-03-19 US disclosed
EP-3427061-B1 USE OF SELECTIVE INOS INHIBITORS FOR TREATING THORACIC AORTIC ANEURYSM CENTRO NAC DE INVESTIGACIONES CARDIOVASCULARES CARLOS III F S P (ES) 2023-12-06 EP disclosed
US-11731981-B2 CCR2 receptor antagonists and uses thereof CENTREXION THERAPEUTICS CORPORATION (US) 2023-08-22 US disclosed
CN-110713489-B Heteroaryl SYK inhibitors 勃林格殷格翰国际有限公司 2022-05-31 CN disclosed
CN-110183440-B Heteroaryl SYK inhibitors 勃林格殷格翰国际有限公司 2022-04-22 CN 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-11731981-B2 CCR2 receptor antagonists and uses thereof CCR2, CCRL2, CCR1 NOS2 1676/4885NOS1 3082/4885CYP2C9 1982/4885
US-20240109909-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 NOS2 1676/4885NOS1 3082/4885CYP2C9 1982/4885
US-12209094-B2 CCR2 receptor antagonists and uses thereof CCR2, CCRL2, CCR1 NOS2 1676/4885NOS1 3082/4885CYP2C9 1982/4885

“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.