Sugi Predict

Sugi Predict / Compounds / SCHEMBL2805621

SCHEMBL2805621

SCHEMBL2805621

Fc1ccc(N2CCN(c3ncc4c(n3)-c3ccccc3C3(CCNCC3)C4)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.40
▸ HSD17B10 Q99714 9/20 0.40
▸ CYP1A2 P05177 8/20 0.40
▸ USP2 O75604 7/20 0.40
▸ CASP1 P29466 7/20 0.40
▸ CASP7 P55210 7/20 0.40
▸ TSHR P16473 6/20 0.40
▸ CYP3A4 P08684 6/20 0.40
▸ TP53 P04637 6/20 0.40
▸ MAPK1 P28482 6/20 0.40
▸ HIF1A Q16665 6/20 0.40
▸ CYP2C19 P33261 5/20 0.40
▸ LMNA P02545 3/20 0.40
▸ HPGD P15428 6/20 0.40
▸ CYP11B2 P19099 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ KMT2A Q03164 5/20 0.38
▸ MEN1 O00255 4/20 0.38

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
SCHEMBL2802561 0.82 POLB (0.47) ALDH1A1TP53LMNAMAPTKMT2A
SCHEMBL2804732 0.82 ADRB1 (0.52) ALDH1A1CYP1A2SMN1; SMN2KMT2ACYP2C9
SCHEMBL2805783 0.82 ALDH1A1 (0.36) ALDH1A1HSD17B10CYP1A2USP2TSHR
SCHEMBL2807816 0.82 ALDH1A1 (0.32) ALDH1A1HSD17B10CYP1A2USP2CASP1
SCHEMBL2805444 0.82 ADRB2 (0.41) CYP3A4
SCHEMBL2806007 0.81 TLR9 (0.40) SMN1; SMN2
SCHEMBL2803911 0.80 HTR3A (0.35) ALDH1A1HSD17B10CYP1A2USP2CASP1
SCHEMBL2805183 0.79 SIGMAR1 (0.44) ALDH1A1CYP1A2CYP2C19LMNASMN1; SMN2
SCHEMBL2803848 0.79 MAPT (0.46) ALDH1A1TP53SMN1; SMN2MAPTGAA
SCHEMBL2804073 0.79 LMNA (0.43) ALDH1A1HSD17B10TSHRLMNAHPGD

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 6 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
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 ALDH1A1 510/4885HSD17B10 2234/4885CYP1A2 612/4885

“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.