SCHEMBL14736563

SCHEMBL14736563

NCCc1nc(-c2ccccc2)no1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.70
L3MBTL1 Q9Y468 6/20 0.70
NPC1 O15118 6/20 0.70
CYP1A2 P05177 1/20 0.70
CYP2C19 P33261 1/20 0.70
NOTUM Q6P988 2/20 0.64
ALDH1A1 P00352 4/20 0.60
HTR1A P08908 1/20 0.60
HRH3 Q9Y5N1 1/20 0.60
TDP1 Q9NUW8 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MAPK1 P28482 2/20 0.57
MEN1 O00255 1/20 0.57
TSHR P16473 1/20 0.57
KMT2A Q03164 1/20 0.57
S1PR1 P21453 1/20 0.55
S1PR3 Q99500 1/20 0.55
ATM Q13315 1/20 0.54
NR1H4 Q96RI1 1/20 0.53
MAPT P10636 1/20 0.52

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
SCHEMBL12477652 0.85 NOTUM (0.69) RAB9AL3MBTL1NPC1CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL5656477 0.84 NOTUM (0.67) RAB9AL3MBTL1NPC1CYP1A2CYP2C19
SCHEMBL14735989 0.83 NOTUM (0.76) RAB9AL3MBTL1NPC1CYP1A2CYP2C19
SCHEMBL14679168 0.83 TDP1 (0.62) RAB9AL3MBTL1NPC1NOTUMTDP1
SCHEMBL3119605 0.83 RAB9A (0.49) RAB9AL3MBTL1NPC1CYP1A2CYP2C19
SCHEMBL14288613 0.82 RAB9A (0.70) RAB9AL3MBTL1NPC1CYP1A2CYP2C19
SCHEMBL15504863 0.82 RAB9A (0.70) RAB9AL3MBTL1NPC1CYP1A2CYP2C19
SCHEMBL8293861 0.81 GRM5 (0.53) RAB9AL3MBTL1NPC1NOTUMTDP1
SCHEMBL8564550 0.79 SIRT2 (0.72) RAB9AL3MBTL1NPC1CYP1A2CYP2C19
SCHEMBL7977108 0.79 ALDH1A1 (0.69) RAB9AL3MBTL1NPC1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772510-B2 PDE10 modulators HOFFMANN-LA ROCHE INC. (US) 2014-07-08 US claimed
US-20130059833-A1 PDE10 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 US claimed
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-27 US disclosed
US-9493412-B2 Pyrrolinone carboxamide compounds useful as endothelial lipase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-15 US disclosed
US-9493412-B2 Pyrrolinone carboxamide compounds useful as endothelial lipase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-15 US disclosed
US-9493412-B2 Pyrrolinone carboxamide compounds useful as endothelial lipase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-15 US disclosed
EP-2760830-B1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-08-03 EP disclosed
EP-2760830-B1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-08-03 EP disclosed
EP-2753604-B1 PDE10 MODULATORS HOFFMANN LA ROCHE (CH) 2015-08-19 EP disclosed
US-20140228321-A1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-14 US disclosed
US-20140228321-A1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-14 US disclosed
EP-2760830-A1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS Bristol-Myers Squibb Company (US) 2014-08-06 EP disclosed
US-8772510-B2 PDE10 modulators HOFFMANN-LA ROCHE INC. (US) 2014-07-08 US disclosed
WO-2013048928-A1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 WO disclosed
WO-2013048928-A1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 WO disclosed
EP-2574607-A1 PDE10 modulators F. Hoffmann-La Roche AG (CH) 2013-04-03 EP disclosed
WO-2013034506-A1 PDE10 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-14 WO disclosed
US-20130059833-A1 PDE10 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 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-20130059833-A1 PDE10 MODULATORS PDE10A, PDE5A, PDE2A RAB9A 109/4885L3MBTL1 2334/4885NPC1 2474/4885
US-20140228321-A1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS LIPG, PNLIP, LPL RAB9A 3092/4885L3MBTL1 4557/4885NPC1 1176/4885
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS CFTR, PKD1, ARRB1 RAB9A 1728/4885L3MBTL1 4504/4885NPC1 239/4885

“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.