Sugi Predict

Sugi Predict / Compounds / SCHEMBL2804099

SCHEMBL2804099

SCHEMBL2804099

c1nc2[nH]ncc2c2c1CCc1nc(NCCCN3CCOCC3)ncc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 2/20 0.43
▸ CDK2 P24941 2/20 0.43
▸ CCNA1 P78396 2/20 0.43
▸ HTR2A P28223 1/20 0.42
▸ FGFR1 P11362 6/20 0.42
▸ FGFR2 P21802 2/20 0.42
▸ FGFR4 P22455 2/20 0.42
▸ FGFR3 P22607 2/20 0.42
▸ SRC P12931 1/20 0.42
▸ TYRO3 Q06418 3/20 0.41
▸ MERTK Q12866 3/20 0.41
▸ GAS6 Q14393 2/20 0.41
▸ CDK4 P11802 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ SMYD2 Q9NRG4 1/20 0.39
▸ SHMT2 P34897 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GLA P06280 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
SCHEMBL2804363 0.94 CCNA2 (0.48) CCNA2CDK2CCNA1HTR2ASHMT2
SCHEMBL2804850 0.90 CCNA2 (0.41) CCNA2CDK2CCNA1FGFR1FGFR2
SCHEMBL2805205 0.85 CCNA2 (0.45) CCNA2CDK2CCNA1HTR2AFGFR1
SCHEMBL2807421 0.81 MKNK1 (0.41) FGFR1FGFR2SRCTYRO3MERTK
SCHEMBL2802873 0.77 PIK3CA (0.45) HTR2AKDM4EPOLBKMT2A
SCHEMBL2803971 0.76 HRH2 (0.39) CCNA2CDK2CCNA1NPC1RAD52
SCHEMBL2806925 0.74 RPS6KB1 (0.39) CCNA2CDK2HTR2ALMNAPOLB
SCHEMBL2806420 0.74 CDK2 (0.39) CCNA2CDK2KDM4E
SCHEMBL2486661 0.73 CCNA2 (0.38) CCNA2CDK2
SCHEMBL2803843 0.72 CCNA2 (0.42) CCNA2CDK2LMNAPOLB

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 CCNA2 306/4885CDK2 46/4885CCNA1 244/4885

“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.