SCHEMBL2806934

SCHEMBL2806934

c1ccc(-n2ncc3c2CCc2cnc4[nH]ncc4c2-3)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
LMNA P02545 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 3/20 0.43
TP53 P04637 3/20 0.43
KDM4E B2RXH2 3/20 0.43
GAA P10253 2/20 0.43
HPGD P15428 2/20 0.43
ALOX15 P16050 2/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HSD17B10 Q99714 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
THRB P10828 1/20 0.43
ALOX12 P18054 1/20 0.43
CASP1 P29466 1/20 0.43

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
SCHEMBL2511927 0.71 NFKB1 (0.47) MAPTLMNAALDH1A1MAPK1KDM4E
SCHEMBL2488223 0.69 ALDH1A1 (0.46) MAPTLMNAALDH1A1MAPK1TP53
SCHEMBL2488134 0.69 BRD4 (0.40) MAPTLMNAMAPK1L3MBTL1PIK3CD
SCHEMBL2487929 0.68 PSEN1 (0.47) LMNAALDH1A1GAAKMT2ASMN1; SMN2
SCHEMBL2515607 0.68 MAPK8 (0.50) MAPTLMNAALDH1A1MAPK1KMT2A
SCHEMBL2490172 0.68 CDK9 (0.54) LMNARAB9ASMN1; SMN2PIK3CDTSHR
SCHEMBL2486614 0.68 KMT2A (0.43) MAPTALDH1A1MAPK1KDM4EGAA
SCHEMBL2490591 0.68 PARP1 (0.35) MAPTLMNAALDH1A1MAPK1KDM4E
SCHEMBL2486302 0.68 HPGD (0.50) LMNAALDH1A1TP53GAAHPGD
SCHEMBL2486697 0.67 CHEK2 (0.44) MAPK1HSP90AA1L3MBTL1NFKB1NFKB2

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 MAPT 3332/4885LMNA 1591/4885ALDH1A1 460/4885

“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.