SCHEMBL2802572

SCHEMBL2802572

CNc1ncc2c(n1)-c1ccccc1C1(CCN(C(=O)c3cccc(F)c3)CC1)C2

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.48
CYP3A4 P08684 13/20 0.44
CYP2D6 P10635 7/20 0.44
ALDH1A1 P00352 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
TSHR P16473 4/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 3/20 0.44
CYP1A2 P05177 5/20 0.44
CYP2C9 P11712 5/20 0.44
CYP2C19 P33261 3/20 0.44
USP2 O75604 5/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 2/20 0.43
TP53 P04637 1/20 0.42

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
SCHEMBL2805019 0.90 GABRD (0.43) CYP3A4ALDH1A1SMN1; SMN2HPGDCYP1A2
SCHEMBL2803489 0.90 CYP1A2 (0.46) CYP3A4ALDH1A1CYP1A2
SCHEMBL2802255 0.90 CYP1A2 (0.43) MAPK1CYP3A4ALDH1A1CYP1A2CYP2C19
SCHEMBL17057525 0.90 PDK2 (0.38) MAPK1CYP3A4TSHRHPGDCYP1A2
SCHEMBL2806326 0.90 CYP2C19 (0.48) CYP3A4CYP2D6ALDH1A1HPGDCYP1A2
SCHEMBL2805737 0.89 CYP3A4 (0.45) CYP3A4ALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL2802776 0.89 LMNA (0.47) ALDH1A1HPGDMEN1KMT2A
SCHEMBL2802240 0.88 HTR1A (0.47) ALDH1A1TSHRHPGDHSD17B10USP2
SCHEMBL2802615 0.87 CCNT1 (0.41) CYP3A4ALDH1A1SMN1; SMN2TSHRUSP2
SCHEMBL2802612 0.87 CCNT1 (0.41) CYP3A4ALDH1A1SMN1; SMN2TSHRUSP2

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
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

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 MAPK1 2878/4885CYP3A4 1058/4885CYP2D6 26/4885

“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.