SCHEMBL600246

SCHEMBL600246

C(=N/C(c1ccccc1)c1ccccc1)\c1ccc2ccc(-c3ccccc3)nc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.36
AR P10275 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GMNN O75496 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
THPO P40225 1/20 0.35
BLM P54132 1/20 0.35

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
SCHEMBL600247 1.00 RAB9A (0.36) RAB9ANPC1ARCYP3A4CYP1A2
SCHEMBL694715 0.80 RAB9A (0.40) RAB9ANPC1ARCYP3A4CYP1A2
SCHEMBL399673 0.74 ALDH1A1 (0.49) RAB9ANPC1ARCYP3A4CYP1A2
SCHEMBL694716 0.72 RAB9A (0.45) RAB9ANPC1ARCYP3A4CYP1A2
SCHEMBL694714 0.72 RAB9A (0.45) RAB9ANPC1ARCYP3A4CYP1A2
SCHEMBL10039876 0.69 RAB9A (0.55) RAB9ANPC1ARCYP3A4CYP1A2
SCHEMBL1492173 0.69 LMNA (0.50) CYP1A2MEN1KMT2AALDH1A1MAPT
SCHEMBL13489309 0.69 LMNA (0.50) CYP1A2MEN1KMT2AALDH1A1MAPT
SCHEMBL1493603 0.69 LMNA (0.50) CYP1A2MEN1KMT2AALDH1A1MAPT
SCHEMBL26675645 0.68 DHODH (0.48) RAB9ANPC1ARCYP3A4CYP1A2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130261306-A1 PREPARATION OF C-PYRAZINE-METHYLAMINES OSI Pharmaceuticals, LLC (US) 2013-10-03 US disclosed
US-20130261306-A1 PREPARATION OF C-PYRAZINE-METHYLAMINES OSI Pharmaceuticals, LLC (US) 2013-10-03 US disclosed
US-20130261306-A1 PREPARATION OF C-PYRAZINE-METHYLAMINES OSI Pharmaceuticals, LLC (US) 2013-10-03 US disclosed
US-8513415-B2 Preparation of C-pyrazine-methylamines OSI Pharmaceuticals, LLC (US) 2013-08-20 US disclosed
US-8513415-B2 Preparation of C-pyrazine-methylamines OSI Pharmaceuticals, LLC (US) 2013-08-20 US disclosed
US-8513415-B2 Preparation of C-pyrazine-methylamines OSI Pharmaceuticals, LLC (US) 2013-08-20 US disclosed
EP-2421837-A1 PREPARATION OF C-PYRAZINE-METHYLAMINES OSI Pharmaceuticals, LLC (US) 2012-02-29 EP disclosed
US-20120041202-A1 Preparation of C-Pyrazine-Methylamines OSI Pharmaceuticals, LLC 2012-02-16 US disclosed
US-20120041202-A1 Preparation of C-Pyrazine-Methylamines OSI Pharmaceuticals, LLC 2012-02-16 US disclosed
US-20120041202-A1 Preparation of C-Pyrazine-Methylamines OSI Pharmaceuticals, LLC 2012-02-16 US disclosed
WO-2010123792-A1 PREPARATION OF C-PYRAZINE-METHYLAMINES OSI PHARMACEUTICALS, INC. (US) 2010-10-28 WO disclosed
WO-2010123792-A1 PREPARATION OF C-PYRAZINE-METHYLAMINES OSI PHARMACEUTICALS, INC. (US) 2010-10-28 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 (2 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-20130261306-A1 PREPARATION OF C-PYRAZINE-METHYLAMINES DOT1L, INMT, H1-5 RAB9A 1394/4885NPC1 2245/4885AR 1184/4885
US-20120041202-A1 Preparation of C-Pyrazine-Methylamines DOT1L, INMT, H1-5 RAB9A 1394/4885NPC1 2245/4885AR 1184/4885

“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.