Sugi Predict

Sugi Predict / Compounds / SCHEMBL2803555

SCHEMBL2803555

SCHEMBL2803555

CC(C)(C)C1CCC(Nc2ncc3c(n2)-c2ccccc2C2(CCNCC2)C3)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 4/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ CDK4 P11802 1/20 0.34
▸ CCND1 P24385 1/20 0.34
▸ CDK7 P50613 8/20 0.34
▸ CCNH P51946 8/20 0.34
▸ MNAT1 P51948 7/20 0.34
▸ CCNT1 O60563 4/20 0.34
▸ CCNK O75909 4/20 0.34
▸ CDK9 P50750 4/20 0.34
▸ CDK12 Q9NYV4 4/20 0.34
▸ MAPK7 Q13164 1/20 0.34
▸ MAPK8 P45983 2/20 0.33
▸ RIPK2 O43353 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CCNE1 P24864 3/20 0.33
▸ ADORA1 P30542 2/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ ALDH1A1 P00352 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
SCHEMBL2805033 0.89 GRM5 (0.40) CDK2CDK1CDK4CCND1CDK7
SCHEMBL2804121 0.87 ADORA1 (0.45) CCNT1MAPK8RIPK2ADORA1ADORA2A
SCHEMBL2804118 0.87 ADORA1 (0.45) CCNT1MAPK8RIPK2ADORA1ADORA2A
SCHEMBL2804162 0.87 MAPK7 (0.47) CDK2CDK1CDK4CCND1CCNT1
SCHEMBL2803960 0.81 KDR (0.37) CDK2MAPTALDH1A1KDR
SCHEMBL2808232 0.80 ACHE (0.45) ALDH1A1
SCHEMBL2803869 0.79 MAPK8 (0.53) CDK2CDK1CDK4CCND1MAPK8
SCHEMBL2803913 0.77 KDM4E (0.33) CDK4CCND1MAPTALDH1A1KDR
SCHEMBL2803972 0.77 CXCR4 (0.46) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL2804961 0.76 CDC7 (0.33) CDK2CDK7CDK9MAPK8MAPT

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
EP-2379506-B1 SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F]ISOQUINOLIN-2-AMINE COMPOUNDS ARQULE INC (US) 2015-09-02 — — EP disclosed
EP-2379506-B1 SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F]ISOQUINOLIN-2-AMINE COMPOUNDS ARQULE INC (US) 2015-09-02 — — EP disclosed
US-8357694-B2 Substituted 5,6-dihydro-6-phenylbenzo[F]isoquinolin-2-amine compounds ARQULE, INC. (US) 2013-01-22 — — US disclosed
US-8357694-B2 Substituted 5,6-dihydro-6-phenylbenzo[F]isoquinolin-2-amine compounds ARQULE, INC. (US) 2013-01-22 — — US disclosed
US-8357694-B2 Substituted 5,6-dihydro-6-phenylbenzo[F]isoquinolin-2-amine compounds ARQULE, INC. (US) 2013-01-22 — — US disclosed
US-20100239525-A1 SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F]ISOQUINOLIN-2-AMINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 — — US disclosed
WO-2010078421-A1 SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F] ISOQUINOLIN-2-AMINE 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-20100239525-A1 SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F]ISOQUINOLIN-2-AMINE COMPOUNDS NQO1, DPYD, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CDK2 43/4885CDK1 318/4885CDK4 77/4885

“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.