SCHEMBL2716637

SCHEMBL2716637

NC(=O)c1cccnc1Nc1ccc2ncccc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.63
MAPT P10636 6/20 0.63
RAB9A P51151 6/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
AHR P35869 1/20 0.63
LMNA P02545 2/20 0.62
SYK P43405 5/20 0.59
ALDH1A1 P00352 4/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
KCNH2 Q12809 1/20 0.57
POLB P06746 1/20 0.57
EGFR P00533 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
PABPC1 P11940 1/20 0.51
HTT P42858 1/20 0.51
GRM4 Q14833 1/20 0.51

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
SCHEMBL2715878 0.89 RAB9A (0.63) NPC1MAPTRAB9ASMN1; SMN2AHR
SCHEMBL3892473 0.88 MEN1 (0.65) NPC1MAPTRAB9ASMN1; SMN2LMNA
SCHEMBL18926157 0.87 SYK (0.57) NPC1MAPTRAB9ASMN1; SMN2AHR
SCHEMBL2713224 0.87 RAB9A (0.56) NPC1MAPTRAB9ASMN1; SMN2AHR
SCHEMBL2713766 0.86 SYK (0.56) NPC1MAPTRAB9ASMN1; SMN2AHR
SCHEMBL2713762 0.84 NPC1 (0.55) NPC1MAPTRAB9ASMN1; SMN2LMNA
SCHEMBL16202734 0.83 SYK (0.66) NPC1MAPTRAB9ASMN1; SMN2AHR
SCHEMBL13074772 0.82 SYK (0.54) NPC1MAPTRAB9ASMN1; SMN2AHR
SCHEMBL2713764 0.81 NPC1 (0.51) NPC1MAPTRAB9ASMN1; SMN2AHR
SCHEMBL14923853 0.81 SYK (0.56) NPC1MAPTRAB9ASMN1; SMN2AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2635556-A2 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS Portola Pharmaceuticals, Inc. (US) 2013-09-11 EP claimed
WO-2012061418-A2 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 WO claimed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-8772320-B2 2014-07-08 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 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 (1 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-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK NPC1 1367/4885MAPT 4186/4885RAB9A 2445/4885

“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.