SCHEMBL2802952

SCHEMBL2802952

CNc1ncc2c(n1)-c1ccccc1C1(CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC1)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GPBAR1 Q8TDU6 1/20 0.43
TSHR P16473 3/20 0.43
MAPK1 P28482 2/20 0.43
USP2 O75604 2/20 0.43
LMNA P02545 1/20 0.43
GLA P06280 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD11B1 P28845 1/20 0.42
PLK1 P53350 1/20 0.41
TP53 P04637 1/20 0.40
POLB P06746 2/20 0.40
HTT P42858 1/20 0.40
HDAC3 O15379 2/20 0.40

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
SCHEMBL2803443 0.89 TSHR (0.41) L3MBTL1KDM4EALDH1A1TSHRMAPK1
SCHEMBL2804994 0.89 PKM (0.42) KDM4EALDH1A1USP2CYP3A4HSD11B1
SCHEMBL2806545 0.88 PKM (0.43) ALDH1A1TSHRLMNASMN1; SMN2HTT
SCHEMBL2806016 0.87 MEN1 (0.40) MAPK1SMN1; SMN2HSD11B1HDAC3HDAC1
SCHEMBL2802631 0.86 TSHR (0.43) L3MBTL1HSD17B10ALDH1A1TSHRMAPK1
SCHEMBL2802795 0.86 OXTR (0.44) ALDH1A1USP2LMNACYP2C19SMN1; SMN2
SCHEMBL2807741 0.85 ALDH1A1 (0.41) HSD17B10ALDH1A1TSHRMAPK1HDAC3
SCHEMBL2804198 0.85 PKM (0.40) KDM4EALDH1A1LMNACYP3A4SMN1; SMN2
SCHEMBL2806646 0.85 HDAC3 (0.43) L3MBTL1HSD17B10KDM4EALDH1A1TSHR
SCHEMBL2804055 0.85 MEN1 (0.40) L3MBTL1MAPK1LMNATP53HTT

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 L3MBTL1 3477/4885HSD17B10 2234/4885KDM4E 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.