SCHEMBL601707

SCHEMBL601707

NCc1ccc2ccc(-c3ccccc3)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.47
RAB9A P51151 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 3/20 0.46
CSNK2A1 P68400 2/20 0.45
CYP3A4 P08684 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GMNN O75496 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 1/20 0.45
THPO P40225 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NOS1 P29475 1/20 0.43

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
SCHEMBL398104 0.83 AR (0.46) RAB9AMEN1KMT2ANPC1CYP3A4
SCHEMBL29746219 0.83 AR (0.46) RAB9AMEN1KMT2ANPC1CYP3A4
SCHEMBL27912984 0.81 NPC1 (0.66) TAAR1RAB9AMEN1KMT2ANPC1
SCHEMBL4069431 0.80 AR (0.44) RAB9AMEN1KMT2ANPC1CYP3A4
SCHEMBL4070650 0.80 RAB9A (0.41) RAB9AMEN1KMT2ANPC1CYP3A4
SCHEMBL20809321 0.79 DHODH (0.51) RAB9AMEN1KMT2ANPC1CYP3A4
SCHEMBL20809062 0.79 RAB9A (0.42) RAB9AMEN1KMT2ANPC1CYP3A4
SCHEMBL10039876 0.77 RAB9A (0.55) RAB9AMEN1KMT2ANPC1CYP3A4
SCHEMBL20809323 0.76 RAB9A (0.38) RAB9AMEN1KMT2ANPC1CYP3A4
SCHEMBL23705909 0.76 NPC1 (0.44) RAB9AMEN1KMT2ANPC1CYP3A4

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 13 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
CN-102405214-A Preparation of c-pyrazine-methylamines OSI PHARM INC 2012-04-04 CN 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 TAAR1 107/4885RAB9A 1394/4885MEN1 208/4885
US-20120041202-A1 Preparation of C-Pyrazine-Methylamines DOT1L, INMT, H1-5 TAAR1 107/4885RAB9A 1394/4885MEN1 208/4885

“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.