SCHEMBL928301

SCHEMBL928301

CNCCCN1CCNCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.50
CARM1 Q86X55 2/20 0.46
PRMT6 Q96LA8 2/20 0.46
PRMT8 Q9NR22 2/20 0.46
HSD17B10 Q99714 1/20 0.46
SIGMAR1 Q99720 2/20 0.43
RAD52 P43351 1/20 0.43
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PRMT1 Q99873 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GNAI3 P08754 4/20 0.38
GNAO1 P09471 4/20 0.38
GNAI1 P63096 4/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38

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
SCHEMBL10877052 0.94 CXCR4 (0.52) CXCR4CARM1PRMT6PRMT8HSD17B10
SCHEMBL23598233 0.92 CXCR4 (0.55) CXCR4CARM1PRMT6PRMT8HSD17B10
SCHEMBL681608 0.86 CARM1 (0.62) CXCR4CARM1PRMT6PRMT8HSD17B10
SCHEMBL29699560 0.84
SCHEMBL8403611 0.84 CARM1 (0.56) CARM1PRMT6PRMT8SMN1; SMN2PRMT1
SCHEMBL15065607 0.82 CXCR4 (0.54) CXCR4HSD17B10SIGMAR1RAD52POLB
SCHEMBL25030266 0.81 TSHR (0.41) CXCR4CARM1PRMT6PRMT8PRMT1
SCHEMBL7466414 0.81 CXCR4 (0.39) CXCR4CARM1PRMT6PRMT8HSD17B10
SCHEMBL22124827 0.80 MEN1 (0.43) CXCR4CARM1PRMT6PRMT8HSD17B10
SCHEMBL13867477 0.79 CARM1 (0.73) CARM1PRMT6PRMT8SMN1; SMN2PRMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856216-B2 Compounds as TNIK, IKKε and TBK1 inhibitors and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2018-01-02 US claimed
US-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-27 US claimed
US-20130123344-A1 METHOD OF PREVENTING OR TREATING VIRAL INFECTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2013-05-16 US claimed
US-20110009512-A1 REDUCTION OF ALDEHYDES IN AMINES HUNTSMAN PETROCHEMICAL LLC (US) 2011-01-13 US claimed
EP-2257592-A2 REDUCTION OF ALDEHYDES IN AMINES Huntsman Petrochemical LLC (US) 2010-12-08 EP claimed
WO-2009117479-A2 REDUCTION OF ALDEHYDES IN AMINES HUNTSMAN PETROCHEMICAL CORPORATION (US) 2009-09-24 WO claimed
EP-1490367-B1 IMIDAZOPYRIDINE DERIVATIVES AS KINASE INHIBITORS GLAXO GROUP LTD (GB) 2008-07-23 EP claimed
US-7348339-B2 2-(4-amino-furazan-3-yl)-1-ethyl-N-[(2R)-2-morpholinylmethyl]-1H-imidazo[4,5-c]pyridine-7-carboxamide; Mitogen- and Stress-Activated Protein (MSK) and Rho (guanosine triphosphate) 1 or 2 kinase inhibitor; neurodegenerative diaeases; antiinflammatory, anticarcinogenic, antiviral and antibacterial agent GLAXO GROUP LIMITED (GB) 2008-03-25 US claimed
US-7060700-B2 Amide derivatives useful as inhibitors of the production of cytokines ASTRAZENECA AB (SE) 2006-06-13 US claimed
US-20050197328-A1 Imidazopyridine derivatives as kinase inhibitors GLAXO GROUP LIMITED (GB) 2005-09-08 US claimed
WO-2003080610-A1 IMIDAZOPYRIDINE DERIVATIVES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-10-02 WO claimed
US-20030105142-A1 Amide derivatives useful as inhibitors of the production of cytokines ASTRAZENECA AB 2003-06-05 US claimed
US-6432949-B1 Amide derivatives useful as inhibitors of the production of cytokines ASTRAZENECA AB (SE) 2002-08-13 US claimed
EP-1102750-A1 AMIDE DERIVATIVES USEFUL AS INHIBITORS OF THE PRODUCTION OF CYTOKINES AstraZeneca AB (SE) 2001-05-30 EP claimed
WO-2000007991-A1 AMIDE DERIVATIVES USEFUL AS INHIBITORS OF THE PRODUCTION OF CYTOKINES ASTRAZENECA AB (SE) 2000-02-17 WO claimed
WO-1998039399-A1 ASHLESS FRICTION MODIFIER WITH VISCOSITY INDEX IMPROVING CREDIT AND LUBRICATING OIL COMPOSITION CONTAINING SAME UNIROYAL CHEMICAL COMPANY, INC. (US) 1998-09-11 WO claimed
US-5721200-A REACTING OLEFINIC COPLYMER WITH UNSATURATED ACYLATING AGENT TO FROM A GRAFT COPOLYMER AND REDUCING MOLECULAR WEIGHT, REACTING GRAFTED COPOLYMER WITH AMINO-ALCOHOL COMPOUND DSM COPOLYMER, INC. (US) 1998-02-24 US claimed
US-5474694-A Dispersant additive which is an modified alpha-olefin polymer TEXACO INC. (US) 1995-12-12 US claimed
EP-0515152-A1 Dispersant additive and lubricating oil composition containing same TEXACO DEVELOPMENT CORPORATION (US) 1992-11-25 EP claimed
US-5162086-A Amino-phenothiazine modified graft polymer TEXACO INC. (US) 1992-11-10 US claimed

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-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME TNIK, TNK1, NFKBIA CXCR4 4258/4885CARM1 3467/4885PRMT6 4050/4885
US-20130123344-A1 METHOD OF PREVENTING OR TREATING VIRAL INFECTION KDM1B, KDM1A, KDM2A CXCR4 3034/4885CARM1 44/4885PRMT6 50/4885
US-20050197328-A1 Imidazopyridine derivatives as kinase inhibitors NR4A3, XDH, MAPK8 CXCR4 124/4885CARM1 527/4885PRMT6 444/4885
US-20030105142-A1 Amide derivatives useful as inhibitors of the production of cytokines IL6, IL6ST, IL2 CXCR4 264/4885CARM1 3436/4885PRMT6 1007/4885

“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.