SCHEMBL398011

SCHEMBL398011

NC(c1ccc2ccc(-c3ccccc3)nc2c1)c1nccnc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 3/20 0.37
CYP3A4 P08684 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CYP1A2 P05177 1/20 0.36
AR P10275 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 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
THPO P40225 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
Hydrochloric Acid SCHEMBL399812 0.99 CYP3A4 (0.37) IGF1RCYP3A4NPC1RAB9ACYP1A2
SCHEMBL3147975 0.86 WNT3A (0.36)
SCHEMBL400386 0.85 TLR9 (0.45) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL402106 0.85 MET (0.38) IGF1RCYP3A4NPC1RAB9ACYP1A2
SCHEMBL398340 0.83 MAOA (0.34) IGF1RCYP3A4NPC1RAB9ACYP1A2
SCHEMBL19263843 0.82 IGF1R (0.35) IGF1RCYP3A4NPC1RAB9ACYP1A2
SCHEMBL397803 0.80 NR4A2 (0.49) CYP3A4CYP1A2CYP2D6CYP2C19MEN1
SCHEMBL4769371 0.80 CYP3A4 (0.35) IGF1RCYP3A4NPC1RAB9ACYP1A2
SCHEMBL400150 0.78 DHODH (0.35) IGF1RCYP3A4NPC1RAB9ACYP1A2
SCHEMBL400042 0.78 HSP90AA1 (0.40) CYP3A4NPC1RAB9ACYP1A2CYP2D6

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 71 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
EP-1957496-A2 BICYCLIC PROTEIN KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2008-08-20 EP disclosed
US-20070149521-A1 Bicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC. 2007-06-28 US disclosed
US-20070149521-A1 Bicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC. 2007-06-28 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
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 (3 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 IGF1R 3009/4885CYP3A4 1115/4885NPC1 3472/4885
US-20130261306-A1 PREPARATION OF C-PYRAZINE-METHYLAMINES DOT1L, INMT, H1-5 IGF1R 2046/4885CYP3A4 485/4885NPC1 2245/4885
US-20060235031-A1 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors IGF1R, MAP2K7, BRCA1 IGF1R 1/4885CYP3A4 1815/4885NPC1 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.