SCHEMBL1147833

SCHEMBL1147833

O=C(NNc1nc2ccccc2n2cccc12)c1ccc(F)cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.47
MAPT P10636 7/20 0.45
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
KDM4E B2RXH2 4/20 0.45
POLB P06746 3/20 0.45
GAA P10253 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
GFER P55789 2/20 0.45
HTT P42858 1/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 4/20 0.41
TP53 P04637 2/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 2/20 0.39
MMP14 P50281 2/20 0.39
THRB P10828 1/20 0.39
RECQL P46063 1/20 0.39
TOP2A P11388 1/20 0.37

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
SCHEMBL1147233 0.83 HSD17B1 (0.41) MAPTKMT2AMEN1KDM4EPOLB
SCHEMBL12114614 0.83 CYP1A2 (0.50) OPRK1MAPTKMT2AKDM4EPOLB
SCHEMBL4522606 0.83 NPC1 (0.51) OPRK1MAPTKMT2AMEN1KDM4E
SCHEMBL4560039 0.82 MAPT (0.47) MAPTKMT2AMEN1KDM4EPOLB
SCHEMBL12658927 0.78 GAA (0.53) MAPTKMT2AMEN1KDM4EPOLB
SCHEMBL1147754 0.78 PTPN1 (0.44) MAPTKDM4EGAAALDH1A1HPGD
Hydrochloric Acid SCHEMBL1147776 0.77 SMN1; SMN2 (0.40) HTR3EHTR3BHTR1AHTR3AHTR3D
Hydrochloric Acid SCHEMBL1147531 0.77 TLR7 (0.45) OPRK1MAPTPOLBTDP1HTT
SCHEMBL4498058 0.74 IRAK4 (0.41) MAPTKMT2AMEN1KDM4EPOLB
SCHEMBL1147715 0.74 GSK3B (0.54) MAPTKMT2AMEN1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275646-A1 Novel Compounds for Treatment of Cancer and Disorders Associated with Angiogenesis Function UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-11-10 US disclosed
US-20110275646-A1 Novel Compounds for Treatment of Cancer and Disorders Associated with Angiogenesis Function UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-11-10 US disclosed
US-7947682-B2 Substituted N′-pyrrolo[1,2-a]quinoxalin-4-yl-hydrazides as anti-cancer agents UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-05-24 US disclosed
US-7947682-B2 Substituted N′-pyrrolo[1,2-a]quinoxalin-4-yl-hydrazides as anti-cancer agents UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-05-24 US disclosed
US-7947682-B2 Substituted N′-pyrrolo[1,2-a]quinoxalin-4-yl-hydrazides as anti-cancer agents UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-05-24 US disclosed
US-20110034472-A1 Novel Compounds for Treatment of Cancer and Disorders Associated With Angiogenesis Function UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-02-10 US disclosed
US-20110034472-A1 Novel Compounds for Treatment of Cancer and Disorders Associated With Angiogenesis Function UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-02-10 US disclosed
US-20100120781-A1 Novel Compounds for Treatment of Cancer and Disorders Associated with Angiogenesis Function UNIVERSITY OF SOUTHERN CALIFORNIA 2010-05-13 US disclosed
US-20100120781-A1 Novel Compounds for Treatment of Cancer and Disorders Associated with Angiogenesis Function UNIVERSITY OF SOUTHERN CALIFORNIA 2010-05-13 US disclosed
US-20100120781-A1 Novel Compounds for Treatment of Cancer and Disorders Associated with Angiogenesis Function UNIVERSITY OF SOUTHERN CALIFORNIA 2010-05-13 US disclosed
US-20090093489-A1 NOVEL COMPOUNDS FOR TREATMENT OF CANCER AND DISORDERS ASSOCIATED WITH ANGIOGENESIS FUNCTION UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-04-09 US disclosed
US-20090093489-A1 NOVEL COMPOUNDS FOR TREATMENT OF CANCER AND DISORDERS ASSOCIATED WITH ANGIOGENESIS FUNCTION UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-04-09 US disclosed
US-20090093489-A1 NOVEL COMPOUNDS FOR TREATMENT OF CANCER AND DISORDERS ASSOCIATED WITH ANGIOGENESIS FUNCTION UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-04-09 US disclosed
US-20060235034-A1 Novel compounds for treatment of cancer and disorders associated with angiogenesis function UNIVERSITY OF SOUTHERN CALIFORNIA 2006-10-19 US disclosed
US-20060142294-A1 Novel compounds for treatment of cancer and disorders associated with angiogenesis function UNIVERSITY OF SOUTHERN CALIFORNIA 2006-06-29 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-20060142294-A1 Novel compounds for treatment of cancer and disorders associated with angiogenesis function VEGFA, TEK, LIPG OPRK1 2567/4885MAPT 2642/4885KMT2A 3961/4885
US-20110275646-A1 Novel Compounds for Treatment of Cancer and Disorders Associated with Angiogenesis Function VEGFA, TEK, LIPG OPRK1 2567/4885MAPT 2642/4885KMT2A 3961/4885
US-20110034472-A1 Novel Compounds for Treatment of Cancer and Disorders Associated With Angiogenesis Function VEGFA, TEK, MCL1 OPRK1 2786/4885MAPT 2713/4885KMT2A 3993/4885
US-20090093489-A1 NOVEL COMPOUNDS FOR TREATMENT OF CANCER AND DISORDERS ASSOCIATED WITH ANGIOGENESIS FUNCTION VEGFA, TEK, MCL1 OPRK1 2786/4885MAPT 2713/4885KMT2A 3993/4885
US-20100120781-A1 Novel Compounds for Treatment of Cancer and Disorders Associated with Angiogenesis Function VEGFA, TEK, MCL1 OPRK1 2786/4885MAPT 2713/4885KMT2A 3993/4885
US-20060235034-A1 Novel compounds for treatment of cancer and disorders associated with angiogenesis function VEGFA, TEK, MCL1 OPRK1 2786/4885MAPT 2713/4885KMT2A 3993/4885

“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.