Sugi Predict

Sugi Predict / Compounds / SCHEMBL2805702

SCHEMBL2805702

SCHEMBL2805702

CNc1ncc2c(n1)-c1ccccc1C1(CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC1)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A7 Q99884 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ USP2 O75604 4/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ PARP10 Q53GL7 1/20 0.37
▸ MGLL Q99685 1/20 0.37
▸ CYP3A4 P08684 4/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ NPY5R Q15761 1/20 0.37
▸ CYP2C9 P11712 3/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ PRKAA2 P54646 1/20 0.37

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
SCHEMBL2803732 0.92 ALDH1A1 (0.49) ALDH1A1KDM4EUSP2CYP1A2TSHR
SCHEMBL2802255 0.92 CYP1A2 (0.43) ALDH1A1CYP1A2CYP3A4MAPK1HTR1A
SCHEMBL2802169 0.89 MAPT (0.43) SLC6A7ALDH1A1KDM4EMEN1KMT2A
SCHEMBL2802920 0.88 KDM4E (0.46) ALDH1A1KDM4EKMT2AHTTCYP1A2
SCHEMBL2803489 0.88 CYP1A2 (0.46) ALDH1A1KDM4EHTTCYP1A2CYP3A4
SCHEMBL2808287 0.88 NPY5R (0.51) ALDH1A1USP2SMN1; SMN2NPY5RMAPK1
SCHEMBL2808285 0.88 NPY5R (0.51) ALDH1A1USP2SMN1; SMN2NPY5RMAPK1
SCHEMBL2802240 0.88 HTR1A (0.47) ALDH1A1MEN1KMT2ANPC1HTT
SCHEMBL2802776 0.87 LMNA (0.47) ALDH1A1KDM4EMEN1KMT2ANPY5R
SCHEMBL2805218 0.86 PKLR (0.39) SLC6A7USP2CYP1A2TSHRCYP3A4

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 SLC6A7 620/4885ALDH1A1 510/4885KDM4E 679/4885

“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.