SCHEMBL2802702

SCHEMBL2802702

Fc1ccccc1C1Cc2cnc(NCC(F)(F)F)nc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.52
FGFR2 P21802 2/20 0.52
CSF1R P07333 1/20 0.52
FGFR3 P22607 1/20 0.52
HDAC4 P56524 1/20 0.38
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
HTT P42858 2/20 0.34
CDK2 P24941 2/20 0.33
CDK4 P11802 1/20 0.33
LMNA P02545 1/20 0.33
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
KDR P35968 3/20 0.32
GAA P10253 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
PIK3CA P42336 1/20 0.31
MTOR P42345 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
SCHEMBL2803933 0.86 FGFR1 (0.57) FGFR1FGFR2CSF1RFGFR3HDAC4
SCHEMBL2803025 0.85 FGFR1 (0.49) FGFR1FGFR2CSF1RFGFR3CYP1A2
SCHEMBL2806866 0.85 FGFR1 (0.51) FGFR1FGFR2CSF1RFGFR3HDAC4
SCHEMBL2802677 0.84 FGFR1 (0.49) FGFR1FGFR2CSF1RFGFR3HDAC4
SCHEMBL2803961 0.84 FGFR1 (0.54) FGFR1FGFR2CSF1RFGFR3CYP1A2
SCHEMBL2805010 0.83 FGFR1 (0.51) FGFR1FGFR2CSF1RFGFR3CDK2
SCHEMBL2807057 0.83 FGFR1 (0.62) FGFR1FGFR2CSF1RFGFR3KDM4E
SCHEMBL2806724 0.82 FGFR1 (0.68) FGFR1FGFR2CSF1RFGFR3CYP1A2
SCHEMBL2806821 0.82 FGFR1 (0.52) FGFR1FGFR2CSF1RFGFR3CYP1A2
SCHEMBL2803196 0.82 FGFR1 (0.50) FGFR1FGFR2CSF1RFGFR3LMNA

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 8 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
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 FGFR1 530/4885FGFR2 511/4885CSF1R 4606/4885

“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.