SCHEMBL3408475

SCHEMBL3408475

Oc1ccnc(-c2cccnn2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 2/20 0.33
DHODH Q02127 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CASP6 P55212 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
TP53 P04637 1/20 0.32
HTR2C P28335 2/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 4/20 0.31
KMT2A Q03164 4/20 0.31
ATM Q13315 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31

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
SCHEMBL30763450 1.00 NPC1 (0.37) NPC1RAB9AKDM4EDHODHALDH1A1
SCHEMBL6629729 0.78 KDM4E (0.35) KDM4EALDH1A1TDP1TP53HTR2C
SCHEMBL2666267 0.78 CCR1 (0.39) NPC1RAB9AKDM4EALDH1A1TDP1
SCHEMBL8894101 0.78 KDM4E (0.36) NPC1RAB9AKDM4EDHODHALDH1A1
SCHEMBL3406541 0.78 TP53 (0.46) NPC1RAB9AKDM4EALDH1A1CASP6
SCHEMBL4028475 0.77 KDM4E (0.59) NPC1RAB9AKDM4EALDH1A1TDP1
SCHEMBL25493617 0.74 TP53 (0.38) NPC1RAB9AKDM4EDHODHALDH1A1
SCHEMBL30525575 0.73 NPC1 (0.40) NPC1RAB9AKDM4EALDH1A1TDP1
SCHEMBL29049464 0.73 NPC1 (0.40) NPC1RAB9AKDM4EALDH1A1TDP1
SCHEMBL2015212 0.73 IDH1 (0.38) NPC1RAB9AMAPTMEN1KMT2A

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
US-20240051943-A1 A PROCESS FOR THE PREPARATION OF N-(BIS(4-METHOXYPHENYL)METHYL)-6-OXO-2-(PYRIDAZIN-3-YL)-1,6-DIHYDROPYRIMIDINE-5-CARBOXAMIDE INTERVET INC. (US) 2024-02-15 US disclosed
US-9079930-B2 Substituted pyrimidines MERCK SHARP & DOHME CORP. (US) 2015-07-14 US disclosed
US-20140349972-A1 SUBSTITUTED PYRIMIDINES MERCK SHARP & DOHME CORP (US) 2014-11-27 US disclosed
EP-2758059-A1 SUBSTITUTED PYRIMIDINES Merck Sharp & Dohme Corp. (US) 2014-07-30 EP disclosed
WO-2013043624-A1 SUBSTITUTED PYRIMIDINES MERCK SHARP & DOHME CORP. (US) 2013-03-28 WO disclosed
EP-2257539-A1 SUBSTITUTED 4-HYDROXYPYRIMIDINE-5-CARBOXAMIDES Merck Sharp & Dohme Corp. (US) 2010-12-08 EP disclosed
WO-2009117269-A1 SUBSTITUTED 4-HYDROXYPYRIMIDINE-5-CARBOXAMIDES MERCK & CO., INC. (US) 2009-09-24 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 (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-20240051943-A1 A PROCESS FOR THE PREPARATION OF N-(BIS(4-METHOXYPHENYL)METHYL)-6-OXO-2-(PYRIDAZIN-3-YL)-1,6-DIHYDROPYRIMIDINE-5-CARBOXAMIDE DPYD, TPMT, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 NPC1 3857/4885RAB9A 2548/4885KDM4E 351/4885
US-20140349972-A1 SUBSTITUTED PYRIMIDINES HIF1AN, HIF1A, EGLN3 NPC1 3276/4885RAB9A 4227/4885KDM4E 266/4885

“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.