Sugi Predict

Sugi Predict / Compounds / SCHEMBL2487346

SCHEMBL2487346

SCHEMBL2487346

O=C(C(Cl)c1ccccc1)N1CCc2c(cnc3[nH]nc(-c4ccccc4)c23)C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 7/20 0.42
▸ BRD4 O60885 1/20 0.39
▸ CREBBP Q92793 1/20 0.39
▸ ROCK2 O75116 3/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ NAMPT P43490 1/20 0.34
▸ HCRTR2 O43614 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL12338765 0.87 NLN (0.34) P2RX7BRD4CREBBPKDM4EALDH1A1
SCHEMBL2488480 0.87 P2RX7 (0.33) P2RX7BRD4CREBBPKDM4EALDH1A1
SCHEMBL12315747 0.84 BRD4 (0.38) P2RX7BRD4CREBBPROCK2ROCK1
SCHEMBL2802456 0.84 BRD4 (0.38) P2RX7BRD4CREBBPROCK2ROCK1
SCHEMBL2510242 0.82 BRD4 (0.38) P2RX7BRD4CREBBPROCK2ROCK1
SCHEMBL2512524 0.81 NPC1 (0.51) P2RX7ROCK2ALDH1A1TSHRNAMPT
Trifluoroacetic Acid SCHEMBL2513203 0.80 P2RX7 (0.37) P2RX7BRD4CREBBPROCK2ROCK1
SCHEMBL2486063 0.80 ROCK2 (0.37) ROCK2KDM4EALDH1A1TSHRHSD17B10
SCHEMBL2487772 0.79 CKS1B (0.46) BRD4CREBBPNAMPT
SCHEMBL2513206 0.76 P2RX7 (0.34) P2RX7BRD4CREBBPKDM4EALDH1A1

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 P2RX7 1017/4885BRD4 89/4885CREBBP 1697/4885

“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.