SCHEMBL399673

SCHEMBL399673

O=Cc1ccc2ccc(-c3ccccc3)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
MAPT P10636 2/20 0.49
NPC1 O15118 4/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
KDM4E B2RXH2 4/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 4/20 0.43
AR P10275 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
IP6K1 Q92551 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
GMNN O75496 1/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL6175881 0.81 RAB9A (0.61) ALDH1A1MAPTNPC1MEN1KMT2A
SCHEMBL694716 0.80 RAB9A (0.45) ALDH1A1MAPTNPC1MEN1KMT2A
SCHEMBL694714 0.80 RAB9A (0.45) ALDH1A1MAPTNPC1MEN1KMT2A
SCHEMBL30847828 0.80 NPC1 (0.49) ALDH1A1MAPTNPC1MEN1KMT2A
SCHEMBL400452 0.79 NPC1 (0.55) ALDH1A1MAPTNPC1MEN1KMT2A
SCHEMBL694715 0.79 RAB9A (0.40) ALDH1A1MAPTNPC1MEN1KMT2A
SCHEMBL10039876 0.77 RAB9A (0.55) ALDH1A1MAPTNPC1MEN1KMT2A
SCHEMBL4070650 0.77 RAB9A (0.41) ALDH1A1MAPTNPC1MEN1KMT2A
SCHEMBL6237278 0.75 RAB9A (0.52) ALDH1A1MAPTNPC1MEN1KMT2A
SCHEMBL400693 0.74 ALDH1A1 (0.41) ALDH1A1NPC1MEN1KMT2AKDM4E

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 81 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168968-B1 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS LLC (US) 2017-08-23 EP disclosed
EP-2168968-B1 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS LLC (US) 2017-08-23 EP disclosed
CN-102924458-B 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARM INC 2014-11-05 CN disclosed
US-8735405-B2 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, LLC (US) 2014-05-27 US disclosed
US-8735405-B2 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, LLC (US) 2014-05-27 US disclosed
US-8735405-B2 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, LLC (US) 2014-05-27 US disclosed
US-8653268-B2 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, LLC (US) 2014-02-18 US disclosed
US-8653268-B2 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, LLC (US) 2014-02-18 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-20070149521-A1 Bicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC. 2007-06-28 US disclosed
WO-2007064993-A2 BICYCLIC PROTEIN KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2007-06-07 WO disclosed
WO-2007064993-A2 BICYCLIC PROTEIN KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2007-06-07 WO disclosed
CN-1960993-A 6, 6-bicyclic substituted heterobicyclic protein kinase inhibitors OSI PHARM INC (US) 2007-05-09 CN disclosed
US-20070032512-A1 6,6-Bicyclic ring substituted sulfur containing heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC., 2007-02-08 US disclosed
US-20070032512-A1 6,6-Bicyclic ring substituted sulfur containing heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC., 2007-02-08 US disclosed
US-20070032512-A1 6,6-Bicyclic ring substituted sulfur containing heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC., 2007-02-08 US disclosed
EP-1740591-A1 6,6-BICYCLIC RING SUBSTITUTED HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2007-01-10 EP disclosed
US-20060235031-A1 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors ACERTA PHARMA B.V. (NL) 2006-10-19 US disclosed
WO-2005097800-A1 6,6-BICYCLIC RING SUBSTITUTED HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2005-10-20 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 (4 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-20070149521-A1 Bicyclic protein kinase inhibitors CDK1, MAP4K2, MAP4K3 ALDH1A1 4394/4885MAPT 1073/4885NPC1 3472/4885
US-20130261306-A1 PREPARATION OF C-PYRAZINE-METHYLAMINES DOT1L, INMT, H1-5 ALDH1A1 585/4885MAPT 3361/4885NPC1 2245/4885
US-20070032512-A1 6,6-Bicyclic ring substituted sulfur containing heterobicyclic protein kinase inhibitors IGF1R, BRCA1, MAP2K6 ALDH1A1 3270/4885MAPT 1585/4885NPC1 4547/4885
US-20060235031-A1 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors IGF1R, MAP2K7, BRCA1 ALDH1A1 3941/4885MAPT 1546/4885NPC1 3887/4885

“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.