Sugi Predict

Sugi Predict / Compounds / SCHEMBL2802602

SCHEMBL2802602

SCHEMBL2802602

CN(C)CCCCNc1ncc2c(n1)-c1ccccc1C(c1ccc(NC(=O)c3ccccc3Br)cc1)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.42
▸ SRC P12931 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ F2R P25116 2/20 0.38
▸ FGFR1 P11362 2/20 0.37
▸ FGFR2 P21802 2/20 0.37
▸ CSF1R P07333 1/20 0.36
▸ FGFR3 P22607 1/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CHRNA7 P36544 1/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ LCK P06239 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ TYRO3 Q06418 5/20 0.34

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
SCHEMBL17057557 0.92 SMN1; SMN2 (0.40) SMN1; SMN2KMT2ALMNAHPGDL3MBTL1
SCHEMBL2805089 0.90 FGFR1 (0.41) ABL1SRCFGFR1FGFR2CSF1R
SCHEMBL2802594 0.87 FGFR1 (0.40) LMNAHPGDFGFR1FGFR2CSF1R
SCHEMBL16360137 0.87 FGFR1 (0.40) KMT2ALMNAL3MBTL1FGFR1FGFR2
SCHEMBL2807926 0.87 CYP1A2 (0.46) FGFR1FGFR2CSF1RFGFR3ALDH1A1
SCHEMBL2805099 0.86 CYP1A2 (0.40) SRCKMT2ALMNAHPGDL3MBTL1
SCHEMBL2805009 0.85 FGFR1 (0.41) FGFR1FGFR2CSF1RFGFR3NAMPT
SCHEMBL2802460 0.85 FGFR1 (0.39) FGFR1FGFR2CSF1RFGFR3NPC1
SCHEMBL2804758 0.85 MEN1 (0.39) KMT2ALMNAL3MBTL1FGFR1FGFR2
SCHEMBL2807820 0.85 FGFR1 (0.40) SMN1; SMN2HPGDFGFR1FGFR2CSF1R

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 ABL1 14/4885SRC 642/4885SMN1; SMN2 1444/4885

“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.