SCHEMBL3150360

SCHEMBL3150360

CN(C)C(=O)n1cccn1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.44
NOS1 P29475 3/20 0.43
FBP1 P09467 1/20 0.42
MGLL Q99685 1/20 0.39
F2 P00734 1/20 0.39
PLAU P00749 1/20 0.39
KLKB1 P03952 1/20 0.39
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL16618378 0.79 NOS1 (0.39) ELANENOS1FBP1F2PLAU
SCHEMBL17276892 0.76 NOS1 (0.39) ELANENOS1FBP1TSHR
SCHEMBL425530 0.76 ELANE (0.47) ELANEKMT2A
SCHEMBL31253394 0.75 NOS1 (0.46) ELANENOS1FBP1F2PLAU
SCHEMBL1680220 0.75
SCHEMBL23638637 0.74 NOS1 (0.44) ELANENOS1FBP1F2PLAU
SCHEMBL6220651 0.74
SCHEMBL1021803 0.74 NOS1 (0.52) ELANENOS1FBP1F2PLAU
SCHEMBL14385408 0.74 NOS1 (0.52) ELANENOS1FBP1F2PLAU
SCHEMBL23407929 0.74 NOS1 (0.44) ELANENOS1FBP1F2PLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0673783-B1 Recording sheets containing purine, pyrimidine, benzimidazole, imidazolidine, urazole, pyrazole, triazole, benzotriazole, tetrazole, and pyrazine compounds XEROX CORP (US) 2000-07-05 EP claimed
US-20250326769-A1 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS NUVALENT INC (US) 2025-10-23 US disclosed
CN-120035594-A Heteroaromatic macrocyclic ether chemotherapeutic agents 纽威伦特公司 2025-05-23 CN disclosed
CN-119677749-A Azaquinazoline pan KRAS inhibitors 米拉蒂治疗股份有限公司 2025-03-21 CN disclosed
CN-118344342-A Substituted polyaromatic ring derivatives, compositions and uses thereof 康迈迪森(北京)医药科技有限公司 2024-07-16 CN disclosed
CN-105611933-A Antiproliferative compounds GENENTECH INC 2016-05-25 CN disclosed
US-8283358-B2 N-sulfonamido polycyclic pyrazolyl compounds ELAN PHARMACEUTICALS, INC. (US) 2012-10-09 US disclosed
US-20100081680-A1 N-SULFONAMIDO POLYCYCLIC PYRAZOLYL COMPOUNDS ELAN PHARMACEUTICALS, INC. 2010-04-01 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-20250326769-A1 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS ROS1, MCL1, ALK ELANE 3336/4885NOS1 3744/4885FBP1 811/4885
US-20100081680-A1 N-SULFONAMIDO POLYCYCLIC PYRAZOLYL COMPOUNDS PSEN1, PSEN2, SULT1E1 ELANE 3833/4885NOS1 80/4885FBP1 1385/4885

“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.