SCHEMBL402824

SCHEMBL402824

O=C(CNCc1ncc[nH]1)Nc1ccc(C#Cc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
HTT P42858 1/20 0.51
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
FPR2 P25090 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
RECQL P46063 1/20 0.43
VCP P55072 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
CASP3 P42574 1/20 0.40
KMT2A Q03164 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
PDGFRB P09619 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
SCHEMBL17008165 0.89 ADRB1 (0.52) SMN1; SMN2NPC1RAB9AHTTADRB1
SCHEMBL2930297 0.80 TAAR1 (0.55) SMN1; SMN2NPC1RAB9AHTTADRB1
SCHEMBL401828 0.79 RECQL (0.66) SMN1; SMN2NPC1RAB9AHTTRECQL
SCHEMBL403072 0.74 RAB9A (0.68) SMN1; SMN2NPC1RAB9AHTTRECQL
SCHEMBL403170 0.73 KDM4E (0.57) SMN1; SMN2NPC1RAB9AHTTRECQL
SCHEMBL27733545 0.73 RECQL (0.55) SMN1; SMN2NPC1RAB9AHTTRECQL
SCHEMBL402509 0.73 ALDH1A1 (0.57) SMN1; SMN2NPC1RAB9AHTTRECQL
SCHEMBL11690159 0.73 ADRB1 (0.56) SMN1; SMN2HTTADRB1ADRB3FPR2
SCHEMBL400285 0.72 RAB9A (0.69) SMN1; SMN2NPC1RAB9AHTTRECQL
SCHEMBL2837061 0.72 TBXAS1 (0.54) SMN1; SMN2HTTFPR2TAAR1KDM4E

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 104 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4570317-A2 COMPOUNDS FOR THE TREATMENT OF BOVINE OR SWINE RESPIRATORY DISEASE Intervet International B.V. (NL) 2025-06-18 EP disclosed
CN-110072844-B Compounds for the treatment of infection by Mannheimia haemolytica or histophilus somni 英特维特国际股份有限公司 2023-06-02 CN disclosed
CN-110300578-B Compounds for the treatment of respiratory diseases in cattle or pigs 英特维特国际股份有限公司 2022-12-13 CN disclosed
US-11202775-B2 Methods for treatment of cancer MINERVA BIOTECHNOLOGIES CORPORATION (US) 2021-12-21 US disclosed
US-20190134052-A1 DOSAGE REGIMEN FOR A PI-3 KINASE INHIBITOR NOVARTIS AG (CH) 2019-05-09 US disclosed
US-9181215-B2 Manufacturing process for pyrimidine derivatives NOVARTIS AG (CH) 2015-11-10 US disclosed
EP-2295402-B1 Antibacterial agents UNIV WASHINGTON (US) 2015-08-12 EP disclosed
US-20150141426-A1 DOSAGE REGIMEN FOR A PI-3 KINASE INHIBITOR NOVARTIS PHARMACEUTICALS CORPORATION 2015-05-21 US disclosed
EP-2849756-A1 DOSAGE REGIMEN FOR A PI-3 KINASE INHIBITOR Novartis AG (CH) 2015-03-25 EP disclosed
US-8614330-B2 Substituted benz-azoles and methods of their use as inhibitors of RAF kinase NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2013-12-24 US disclosed
US-20050065169-A1 Heteroaryl-fused pyrimidinyl compounds as anticancer agents CHIRON CORPORATION 2005-03-24 US disclosed
EP-1499311-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS RAF KINASE INHIBITORS Chiron Corporation (US) 2005-01-26 EP disclosed
WO-2004113335-A2 PYRIDINO[1,2-A]PYRIMIDIN-4-ONE COMPOUNDS AS ANTICANCER AGENTS CHIRON CORPORATION (US) 2004-12-29 WO disclosed
WO-2004092360-A2 THE SEVERE ACUTE RESPIRATORY SYNDROME CORONAVIRUS CHIRON CORPORATION (US) 2004-10-28 WO disclosed
WO-2004087153-A2 USE OF ORGANIC COMPOUNDS FOR IMMUNOPOTENTIATION CHIRON CORPORATION (US) 2004-10-14 WO disclosed
US-20040176385-A1 Small molecule PI 3-kinase inhibitors and methods of their use NOVARTIS AG (CH) 2004-09-09 US disclosed
WO-2004062601-A2 ANTIBACTERIAL AGENTS CHIRON CORPORATION (US) 2004-07-29 WO disclosed
US-20040122237-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase NOVARTIS AG (CH) 2004-06-24 US disclosed
US-20040087626-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase NOVARTIS AG (CH) 2004-05-06 US disclosed
WO-2003082272-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS RAF KINASE INHIBITORS CHIRON CORPORATION (US) 2003-10-09 WO 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 (7 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-20040122237-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF SMN1; SMN2 4020/4885NPC1 4125/4885RAB9A 1662/4885
US-20040087626-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF SMN1; SMN2 4075/4885NPC1 4460/4885RAB9A 1810/4885
US-20150141426-A1 DOSAGE REGIMEN FOR A PI-3 KINASE INHIBITOR PIK3CA, PIK3CD, PIK3R5 SMN1; SMN2 3256/4885NPC1 1109/4885RAB9A 881/4885
US-11202775-B2 Methods for treatment of cancer TP53, TOP2B, BRCA1 SMN1; SMN2 1472/4885NPC1 445/4885RAB9A 3686/4885
US-20040176385-A1 Small molecule PI 3-kinase inhibitors and methods of their use PI4KB, PI4KA, PDPK1 SMN1; SMN2 2112/4885NPC1 666/4885RAB9A 778/4885
US-20050065169-A1 Heteroaryl-fused pyrimidinyl compounds as anticancer agents TYMP, DHFR, PAICS SMN1; SMN2 1222/4885NPC1 497/4885RAB9A 1396/4885
US-20190134052-A1 DOSAGE REGIMEN FOR A PI-3 KINASE INHIBITOR PIK3CA, PIK3CD, PIK3R5 SMN1; SMN2 3256/4885NPC1 1109/4885RAB9A 881/4885

“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.