Sugi Predict

Sugi Predict / Compounds / SCHEMBL2809552

SCHEMBL2809552

SCHEMBL2809552

Cc1ccc(-c2n[nH]c3ncc4c(c23)CCN(C(=O)Nc2ccccc2)C4)o1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 11/20 0.44
▸ NPC1 O15118 10/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ TP53 P04637 1/20 0.44
▸ THRB P10828 1/20 0.43
▸ PDGFRB P09619 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ TAS1R3 Q7RTX0 1/20 0.41
▸ TAS1R1 Q7RTX1 1/20 0.41
▸ TAS1R2 Q8TE23 1/20 0.41
▸ ROCK2 O75116 3/20 0.39
▸ NAMPT P43490 2/20 0.39
▸ LIMK1 P53667 2/20 0.39
▸ LIMK2 P53671 2/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL2512524 0.85 NPC1 (0.51) RAB9ANPC1SMN1; SMN2TP53THRB
SCHEMBL2488267 0.85 NPC1 (0.47) RAB9ANPC1SMN1; SMN2TP53THRB
SCHEMBL2803749 0.81 THRB (0.53) RAB9ANPC1SMN1; SMN2TP53THRB
SCHEMBL2803761 0.80 RAB9A (0.52) RAB9ANPC1SMN1; SMN2TP53THRB
SCHEMBL12316013 0.80 NAMPT (0.52) RAB9ANPC1SMN1; SMN2TP53THRB
Hydrochloric Acid SCHEMBL2513170 0.79 NAMPT (0.52) RAB9ANPC1SMN1; SMN2TP53THRB
SCHEMBL2805950 0.79 NAMPT (0.47) RAB9ANPC1SMN1; SMN2TP53THRB
SCHEMBL2803991 0.79 NAMPT (0.44) RAB9ANPC1SMN1; SMN2TP53THRB
SCHEMBL2804192 0.79 ROCK2 (0.43) RAB9ANPC1SMN1; SMN2TP53THRB
SCHEMBL2805115 0.79 NPC1 (0.53) RAB9ANPC1THRBTAS1R3TAS1R1

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 RAB9A 1240/4885NPC1 205/4885SMN1; SMN2 1523/4885

“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.