SCHEMBL3660941

SCHEMBL3660941

CC(C)(C)N1CCN(c2cncc(Cl)n2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.58
KDM4E B2RXH2 1/20 0.58
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
HTR1A P08908 1/20 0.58
CYP2C9 P11712 1/20 0.58
HPGD P15428 1/20 0.58
HTR2C P28335 1/20 0.58
CYP2C19 P33261 1/20 0.58
KMT2A Q03164 1/20 0.58
HSD17B10 Q99714 1/20 0.58
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
HRH4 Q9H3N8 3/20 0.36
CDK2 P24941 1/20 0.33

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
SCHEMBL3056725 0.81 KDM4E (0.64) HTR2AKDM4EMEN1ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL11557145 0.79 KDM4E (0.62) HTR2AKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL939716 0.78 ALDH1A1 (0.70) HTR2AKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL10294633 0.78 HTR2A (0.60) HTR2AKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL27809054 0.77 KDM4E (0.48) HTR2AKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL31558499 0.77 CYP1A2 (0.68) HTR2AKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL19673985 0.77 CYP1A2 (0.68) HTR2AKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL15332863 0.77 HTR2A (0.58) HTR2AKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL2215086 0.75 KDM4E (0.57) HTR2AKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL1713569 0.75 ALDH1A1 (0.66) HTR2AKDM4EMEN1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580786-B2 Triazine derivatives and their therapeutical applications NANT HOLDINGS IP, LLC (US) 2013-11-12 US disclosed
US-20130023497-A1 Triazine Derivatives and their Therapeutical Applications NANTBIO, INC. 2013-01-24 US disclosed
US-20130023497-A1 Triazine Derivatives and their Therapeutical Applications NANTBIO, INC. 2013-01-24 US disclosed
US-20120238576-A1 Triazine Derivatives and their Therapeutical Applications CALIFORNIA CAPITAL EQUITY, LLC (CA) 2012-09-20 US disclosed
US-20120178758-A1 STYRYL-TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-07-12 US disclosed
US-20120172361-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-07-05 US disclosed
US-20110150763-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS ABRAXIS BIOSCIENCE, LLC (US) 2011-06-23 US disclosed
US-7858782-B2 Triazine derivatives and their therapeutical applications ABRAXIS BIOSCIENCE, LLC (US) 2010-12-28 US disclosed
EP-2211620-A1 THERAPEUTIC COMPOUNDS Merck Sharp & Dohme Corp. (US) 2010-08-04 EP disclosed
WO-2009054941-A1 THERAPEUTIC COMPOUNDS MERCK & CO., INC. (US) 2009-04-30 WO disclosed
US-20080176853-A1 e.g. N-(2-chloro-6-methylphenyl)-3-ethoxyacrylamide; protein (tyrosine and serine/threonine) kinase inhibitor; variety of conditions and diseases; antiproliferative, anticarcinogenic, antiinflammatory, antiallergenic agent; autoimmune and neurodegenerative disorders ABRAXIS BIOSCIENCE, INC. (US) 2008-07-24 US 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 (6 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-20120172361-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CYP3A5, CYP11B2, ABCB1 HTR2A 360/4885KDM4E 4209/4885MEN1 3723/4885
US-20130023497-A1 Triazine Derivatives and their Therapeutical Applications IL5, IKZF3, CYP11B2 HTR2A 281/4885KDM4E 4349/4885MEN1 4203/4885
US-20120178758-A1 STYRYL-TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS STK25, STK35, SGK2 HTR2A 1374/4885KDM4E 2463/4885MEN1 4391/4885
US-20120238576-A1 Triazine Derivatives and their Therapeutical Applications SLC10A1, GLS, SLC10A2 HTR2A 784/4885KDM4E 4469/4885MEN1 3798/4885
US-20110150763-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS BAZ2A, CAMKK2, BAZ1A HTR2A 1148/4885KDM4E 3203/4885MEN1 4476/4885
US-20080176853-A1 e.g. N-(2-chloro-6-methylphenyl)-3-ethoxyacrylamide; protein (tyrosine and serine/threonine) kinase inhibitor; variety of conditions and diseases; antiproliferative, anticarcinogenic, antiinflammatory, antiallergenic agent; autoimmune and neurodegenerative disorders MAP3K15, DSTYK, STK25 HTR2A 1161/4885KDM4E 1292/4885MEN1 2868/4885

“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.