Sugi Predict

Sugi Predict / Compounds / SCHEMBL2803971

SCHEMBL2803971

SCHEMBL2803971

CN1CCCC1CCNc1ncc2c(n1)CCc1cnc3[nH]ncc3c1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ CCNA2 P20248 2/20 0.38
▸ CDK2 P24941 2/20 0.38
▸ CCNA1 P78396 2/20 0.38
▸ PLK1 P53350 1/20 0.38
▸ PLK3 Q9H4B4 1/20 0.38
▸ PLK2 Q9NYY3 1/20 0.38
▸ NMT1 P30419 2/20 0.37
▸ AURKA O14965 1/20 0.34
▸ LCK P06239 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ TEK Q02763 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ CAMK2D Q13557 1/20 0.34
▸ ACP1 P24666 2/20 0.33
▸ BRAF P15056 1/20 0.33
▸ SLC2A1 P11166 2/20 0.33
▸ RAD52 P43351 2/20 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
SCHEMBL2805205 0.82 CCNA2 (0.45) HRH3CCNA2CDK2CCNA1AURKA
SCHEMBL2804850 0.79 CCNA2 (0.41) HRH2HRH1HRH3CCNA2CDK2
SCHEMBL2804363 0.77 CCNA2 (0.48) CCNA2CDK2CCNA1
SCHEMBL2801997 0.77 IDO1 (0.39) CCNA2CDK2
SCHEMBL2807421 0.76 MKNK1 (0.41) NPC1RAB9A
SCHEMBL2804099 0.76 CCNA2 (0.43) HRH3CCNA2CDK2CCNA1RAD52
SCHEMBL2486661 0.74 CCNA2 (0.38) CCNA2CDK2AURKA
SCHEMBL2806420 0.74 CDK2 (0.39) CCNA2CDK2
SCHEMBL2804807 0.72 SLC29A1 (0.42) HRH1CCNA2CDK2AURKB
SCHEMBL2802228 0.71 AKT1 (0.38) CCNA2CDK2CCNA1PLK1AURKA

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 HRH2 950/4885HRH1 1047/4885HRH3 1727/4885

“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.