SCHEMBL2804020

SCHEMBL2804020

O=C(Nc1ccccc1Oc1ccccc1)N1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.47
TRPV1 Q8NER1 2/20 0.44
RECQL P46063 1/20 0.42
PAK1 Q13153 1/20 0.42
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TSHR P16473 2/20 0.41
MAPT P10636 2/20 0.41
ALOX15 P16050 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CCNE2 O96020 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
TAS1R2 Q8TE23 2/20 0.41
TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL2802809 0.87 PDGFRB (0.62) PDGFRBTRPV1PAK1SMN1; SMN2NPC1
SCHEMBL2806247 0.86 PDGFRB (0.52) PDGFRBPAK1SMN1; SMN2MEN1KMT2A
SCHEMBL2806132 0.84 PAK1 (0.44) PDGFRBTRPV1PAK1KDM4ESMN1; SMN2
SCHEMBL2804401 0.84 PAK1 (0.59) TRPV1PAK1KDM4ESMN1; SMN2MAPT
SCHEMBL2486602 0.83 RAB9A (0.55) PDGFRBTRPV1PAK1KDM4ESMN1; SMN2
SCHEMBL2805634 0.83 KDM4E (0.61) TRPV1PAK1KDM4EKMT2ATSHR
SCHEMBL2805744 0.82 PDGFRB (0.48) PDGFRBMEN1KMT2AMAPTALDH1A1
SCHEMBL2485492 0.80 RAB9A (0.47) TRPV1PAK1KDM4ESMN1; SMN2TAS1R3
SCHEMBL2489701 0.80 TRPV1 (0.45) PDGFRBTRPV1KDM4ESMN1; SMN2MEN1
SCHEMBL2802299 0.80 NPC1 (0.61) PAK1KDM4ESMN1; SMN2TSHRMAPT

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 PDGFRB 1363/4885TRPV1 1732/4885RECQL 59/4885

“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.