SCHEMBL1147754

SCHEMBL1147754

O=C(NNc1nc2ccccc2n2cccc12)c1nc2ccccc2n2cccc12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.44
PTPN2 P17706 1/20 0.44
TOP2A P11388 3/20 0.43
LCK P06239 4/20 0.41
MAOA P21397 1/20 0.40
CSNK2A2 P19784 4/20 0.40
CSNK2B P67870 4/20 0.40
CSNK2A1 P68400 4/20 0.40
RAD51 Q06609 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL12112542 0.89 PTPN1 (0.51) PTPN1PTPN2LCKMAOACSNK2A2
SCHEMBL12658927 0.86 GAA (0.53) PTPN1PTPN2TOP2AMAOACSNK2A2
SCHEMBL12114614 0.82 CYP1A2 (0.50) PTPN1PTPN2TOP2ALCKALDH1A1
SCHEMBL4522606 0.82 NPC1 (0.51) ALDH1A1KDM4EMAPTGAA
SCHEMBL1147810 0.82 SMN1; SMN2 (0.48) ALDH1A1KDM4EMAPTHPGD
SCHEMBL1147777 0.82 GSK3B (0.52) PTPN1PTPN2TOP2ALCKRAD51
SCHEMBL1310608 0.80 ALDH1A1 (0.53) LCKRAD51ALDH1A1KDM4EMAPT
SCHEMBL13369603 0.80 PTPN1 (0.53) PTPN1PTPN2LCKMAOACSNK2A2
SCHEMBL1147685 0.80 ALDH1A1 (0.50) PTPN1PTPN2LCKMAOACSNK2A2
SCHEMBL4560039 0.79 MAPT (0.47) LCKCSNK2A2CSNK2BCSNK2A1ALDH1A1

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 PTPN1 3714/4885PTPN2 3686/4885TOP2A 1973/4885
US-20110275646-A1 Novel Compounds for Treatment of Cancer and Disorders Associated with Angiogenesis Function VEGFA, TEK, LIPG PTPN1 3714/4885PTPN2 3686/4885TOP2A 1973/4885
US-20110034472-A1 Novel Compounds for Treatment of Cancer and Disorders Associated With Angiogenesis Function VEGFA, TEK, MCL1 PTPN1 3434/4885PTPN2 3449/4885TOP2A 1459/4885
US-20090093489-A1 NOVEL COMPOUNDS FOR TREATMENT OF CANCER AND DISORDERS ASSOCIATED WITH ANGIOGENESIS FUNCTION VEGFA, TEK, MCL1 PTPN1 3434/4885PTPN2 3449/4885TOP2A 1459/4885
US-20100120781-A1 Novel Compounds for Treatment of Cancer and Disorders Associated with Angiogenesis Function VEGFA, TEK, MCL1 PTPN1 3434/4885PTPN2 3449/4885TOP2A 1459/4885
US-20060235034-A1 Novel compounds for treatment of cancer and disorders associated with angiogenesis function VEGFA, TEK, MCL1 PTPN1 3434/4885PTPN2 3449/4885TOP2A 1459/4885

“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.