Sugi Predict

Sugi Predict / Compounds / SCHEMBL2488134

SCHEMBL2488134

SCHEMBL2488134

c1ccc2c(c1)NCCc1cnc3[nH]ncc3c1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.40
▸ BCHE P06276 2/20 0.38
▸ ACHE P22303 1/20 0.38
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ NUDT1 P36639 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ PARP10 Q53GL7 1/20 0.33
▸ PARP11 Q9NR21 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MKNK1 Q9BUB5 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CCNB2 O95067 1/20 0.32
▸ CCNE2 O96020 1/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ CCNB1 P14635 1/20 0.32

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
SCHEMBL2511927 0.79 NFKB1 (0.47) BCHEACHENFKB1NFKB2RELA
SCHEMBL2515607 0.76 MAPK8 (0.50) NFKB1NFKB2RELANUDT1MAPK1
SCHEMBL2486614 0.75 KMT2A (0.43) NFKB1NFKB2RELAMAPK1MAPT
SCHEMBL2486311 0.72 KMT2A (0.54) NFKB1NFKB2RELAMAPK1LMNA
SCHEMBL7335866 0.72 LTK (0.53) BRD4BCHEACHELMNAPDPK1
SCHEMBL2490591 0.72 PARP1 (0.35) NFKB1NFKB2RELANUDT1MAPK1
SCHEMBL2488610 0.71 KDR (0.43) MAPK1LMNAMAPTCDK1CDK2
SCHEMBL2511359 0.70 NFKB1 (0.35) NFKB1NFKB2RELANUDT1MAPK1
SCHEMBL2490172 0.69 CDK9 (0.54) NFKB1NFKB2RELANUDT1LMNA
SCHEMBL2486619 0.69 NFKB1 (0.58) ACHENFKB1NFKB2RELANUDT1

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 89/4885BCHE 2631/4885ACHE 2601/4885

“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.