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SCHEMBL2485351

SCHEMBL2485351

COCCCNC(C(=O)N1CCc2c(cnc3[nH]ncc23)C1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ HCRTR2 O43614 7/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NAMPT P43490 1/20 0.34
▸ PDGFRB P09619 2/20 0.34
▸ KDR P35968 2/20 0.34
▸ HAT1 O14929 1/20 0.34
▸ EP300 Q09472 1/20 0.34
▸ HCRTR1 O43613 1/20 0.33
▸ MAPK1 P28482 1/20 0.33

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
SCHEMBL12315754 0.88 ALDH1A1 (0.34) ALDH1A1KDM4ETSHRHSD17B10CASP1
SCHEMBL2488582 0.86 PDGFRB (0.32) ALDH1A1KDM4ETSHRHSD17B10CASP1
SCHEMBL2805666 0.86 SMYD2 (0.41) TSHRNAMPT
SCHEMBL2490206 0.85 HCRTR2 (0.40) ALDH1A1KDM4EHCRTR2HCRTR1MAPK1
Trifluoroacetic Acid SCHEMBL2487091 0.85 DPP8 (0.35) HCRTR2ROCK2
SCHEMBL12315752 0.80 HAT1 (0.43) ALDH1A1KDM4ESMN1; SMN2NAMPTHAT1
SCHEMBL2486063 0.79 ROCK2 (0.37) ALDH1A1KDM4ETSHRHSD17B10CASP1
SCHEMBL2803958 0.79 ROCK2 (0.50) ROCK2PDGFRBKDR
Trifluoroacetic Acid SCHEMBL2511751 0.78 HAT1 (0.40) ALDH1A1KDM4ETSHRHSD17B10SMN1; SMN2
Trifluoroacetic Acid SCHEMBL2487366 0.76 ROCK2 (0.46) ROCK2

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 9 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
EP-2379551-A1 SUBSTITUTED PYRAZOLO [3, 4-B]PYRIDINE COMPOUNDS ArQule, Inc. (US) 2011-10-26 — — EP 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
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 ALDH1A1 460/4885KDM4E 1334/4885TSHR 4751/4885

“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.