Sugi Predict

Sugi Predict / Compounds / SCHEMBL2485658

SCHEMBL2485658

SCHEMBL2485658

Cc1nc(-c2cccc(NC(=O)N3CCc4c(cnc5[nH]ncc45)C3)c2)cs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.46
▸ MAPT P10636 4/20 0.44
▸ LMNA P02545 3/20 0.44
▸ RPS6KA3 P51812 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ OTUD7B Q6GQQ9 1/20 0.43
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HTT P42858 3/20 0.41
▸ RHOA P61586 1/20 0.40
▸ PAK1 Q13153 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40
▸ KDM1A O60341 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39

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
SCHEMBL2490058 0.86 MAPT (0.44) BRD4MAPTLMNARPS6KA3MAPK1
SCHEMBL2802543 0.85 MAPT (0.43) BRD4MAPTLMNARPS6KA3MAPK1
SCHEMBL2805561 0.84 KDR (0.51) PAK1TRPV1ALDH1A1SMN1; SMN2NPC1
SCHEMBL2510961 0.82 MAPT (0.47) MAPTLMNAPAK1TRPV1TP53
SCHEMBL2806850 0.81 RAB9A (0.60) MAPTLMNAMAPK1PAK1TRPV1
SCHEMBL2805002 0.80 PAK1 (0.60) MAPTLMNAPAK1ALDH1A1GAA
SCHEMBL2806010 0.80 TRPV1 (0.56) MAPTLMNAPAK1TRPV1TP53
SCHEMBL2803952 0.80 TRPV1 (0.56) MAPTLMNAMAPK1CYP1A2CYP3A4
SCHEMBL2803935 0.80 NPC1 (0.58) MAPTLMNAHTTPAK1TRPV1
SCHEMBL2486602 0.80 RAB9A (0.55) MAPK1PAK1TRPV1ALDH1A1TP53

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 BRD4 89/4885MAPT 3332/4885LMNA 1591/4885

“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.