SCHEMBL2804990

SCHEMBL2804990

O=C(NCCc1ccccc1)N1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.46
SLC29A1 Q99808 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
KMT2A Q03164 1/20 0.44
PTGDR2 Q9Y5Y4 3/20 0.43
KIT P10721 1/20 0.42
TPSAB1 Q15661 1/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL2805431 0.90 KMT2A (0.46) NAMPTSMN1; SMN2MEN1NPC1KMT2A
SCHEMBL2805762 0.87 NAMPT (0.46) NAMPTKDM4EALDH1A1
SCHEMBL2804019 0.86 NAMPT (0.50) NAMPTNPC1
SCHEMBL2805588 0.84 ROCK1 (0.49) NAMPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL2484213 0.84 KMT2A (0.47) NAMPTSMN1; SMN2MEN1NPC1KMT2A
SCHEMBL2804250 0.84 KMT2A (0.41) NAMPTMEN1KMT2APTGDR2KIT
SCHEMBL2802871 0.83 LMNA (0.52) NAMPTMEN1NPC1KMT2APTGDR2
SCHEMBL2804632 0.83 NAMPT (0.44) NAMPTSMN1; SMN2MEN1NPC1KMT2A
SCHEMBL2486602 0.83 RAB9A (0.55) SMN1; SMN2MEN1NPC1KMT2APTGDR2
SCHEMBL2803625 0.82 MAPK1 (0.55) NAMPTMEN1NPC1KMT2APTGDR2

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-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 US disclosed
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 US disclosed
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US disclosed
WO-2010078427-A1 SUBSTITUTED PYRAZOLO [3, 4-B] PYRIDINE COMPOUNDS ARQULE, INC. (US) 2010-07-08 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 (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-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS NQO1, IDH3B, IDH1 NAMPT 212/4885SLC29A1 1627/4885SMN1; SMN2 1523/4885

“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.