Sugi Predict

Sugi Predict / Compounds / SCHEMBL2804723

SCHEMBL2804723

SCHEMBL2804723

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.43
▸ EPHX1 P07099 1/20 0.43
▸ NPY5R Q15761 2/20 0.42
▸ PDK2 Q15119 1/20 0.41
▸ KCNH2 Q12809 4/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CHRM5 P08912 1/20 0.39
▸ SLC6A7 Q99884 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL2805737 0.91 CYP3A4 (0.45) NPY5RPDK2HPGDCHRM5CYP3A4
SCHEMBL2803489 0.90 CYP1A2 (0.46) EPHX2NPY5RPDK2CYP1A2HTT
SCHEMBL2802255 0.90 CYP1A2 (0.43) PDK2CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL2802169 0.89 MAPT (0.43) PDK2MEN1KMT2AHPGDSLC6A7
SCHEMBL2802920 0.88 KDM4E (0.46) NPY5RPDK2KMT2AHPGDCYP1A2
SCHEMBL2802122 0.88 NPY5R (0.49) NPY5RKMT2AHTTNAMPTLMNA
SCHEMBL2802118 0.88 NPY5R (0.49) NPY5RKMT2AHTTNAMPTLMNA
SCHEMBL2803732 0.87 ALDH1A1 (0.49) NPY5RHPGDTSHRCYP1A2CYP3A4
SCHEMBL2809555 0.86 CRBN (0.42) TSHRCYP1A2HTTCYP3A4CYP2C19
SCHEMBL2805702 0.86 SLC6A7 (0.42) NPY5RKCNH2MEN1KMT2AHPGD

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-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 EPHX2 1893/4885EPHX1 1360/4885NPY5R 617/4885

“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.