SCHEMBL2802641

SCHEMBL2802641

Clc1ccccc1CN1CCN(c2ncc3c(n2)CCc2cnc4[nH]ncc4c2-3)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
TP53 P04637 2/20 0.53
ROCK2 O75116 3/20 0.45
ROCK1 Q13464 3/20 0.45
LMNA P02545 3/20 0.44
HTT P42858 2/20 0.44
CCR2 P41597 2/20 0.42
JAK1 P23458 3/20 0.42
JAK2 O60674 2/20 0.42
JAK3 P52333 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
PLA2G1B P04054 1/20 0.41
RAB9A P51151 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
GAA P10253 2/20 0.39
HSP90AB1 P08238 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37

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
SCHEMBL2803986 0.89 LMNA (0.57) MAPTTP53ROCK2ROCK1LMNA
SCHEMBL2803917 0.81 ALDH1A1 (0.42) ROCK2ROCK1LMNAHTTCCR2
SCHEMBL2802930 0.80 HTR2A (0.37) MAPTROCK2ROCK1LMNAHTT
SCHEMBL2808293 0.78 MAPT (0.41) MAPTLMNAHTTALDH1A1HTR2A
SCHEMBL2803930 0.78 ALDH1A1 (0.48) MAPTTP53ROCK2LMNAHTT
SCHEMBL2802873 0.77 PIK3CA (0.45) MAPTKDM4EALDH1A1HSP90AB1HTR2A
SCHEMBL2802227 0.77 TSHR (0.42) MAPTLMNAHTTALDH1A1
SCHEMBL2805252 0.71 PIK3CD (0.37) JAK1ALDH1A1HTR2AHTR2C
SCHEMBL2805136 0.69 LCK (0.41) MAPTTP53JAK1JAK2JAK3
SCHEMBL4979044 0.68 MAPT (0.64) MAPTTP53LMNAKDM4EALDH1A1

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 3332/4885TP53 14/4885ROCK2 1391/4885

“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.