SCHEMBL2806256

SCHEMBL2806256

N#Cc1c(NC(=O)OCCc2cccc(C(F)(F)F)c2)ncc2c1-c1ccccc1C(c1ccc(Cl)c(Cl)c1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.34
S1PR5 Q9H228 4/20 0.34
PDGFRA P16234 2/20 0.34
PIM1 P11309 1/20 0.34
GRK5 P34947 1/20 0.33
CDK8 P49336 1/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
NR3C2 P08235 1/20 0.32
ATM Q13315 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
CNR1 P21554 1/20 0.32
HPGD P15428 2/20 0.32
PLA2G1B P04054 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CHRM3 P20309 1/20 0.31
HRH1 P35367 1/20 0.31

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
SCHEMBL2805732 0.93 CHEK1 (0.32) MEN1KMT2ACHRM3
SCHEMBL2805160 0.86 ALDH1A1 (0.34) CDK8LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL2805222 0.86 CHEK1 (0.32) LMNAMAPTSMN1; SMN2CHRM3KCNH2
SCHEMBL2804693 0.85 ALDH1A1 (0.36) LMNAKCNH2
SCHEMBL2802547 0.85 RAB9A (0.35) LMNAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2803313 0.84 SLC6A2 (0.31) CHRM3KCNH2
SCHEMBL2805153 0.84 FGFR1 (0.41) S1PR1S1PR5PDGFRAPIM1GRK5
SCHEMBL2803902 0.84 CYP2C19 (0.34) LMNAMAPTSMN1; SMN2HPGDKDM4E
SCHEMBL2804317 0.84 GPBAR1 (0.34) GPBAR1
SCHEMBL2803262 0.83 CHEK1 (0.36) LMNASMN1; SMN2NR3C2KDM4ECHRM3

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 5 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-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 S1PR1 3119/4885S1PR5 1644/4885PDGFRA 622/4885

“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.