SCHEMBL1056735

SCHEMBL1056735

O=C(NNc1cccc2c1ncc1c(F)ccn12)c1cnccn1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
MCL1 Q07820 1/20 0.41
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 5/20 0.39
ALOX15 P16050 2/20 0.39
TSHR P16473 2/20 0.39
MAPT P10636 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAOB P27338 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
Hydrochloric Acid SCHEMBL1147706 0.99 HDAC3 (0.42) HDAC3HDAC1HDAC2HDAC8HDAC6
Hydrochloric Acid SCHEMBL1147534 0.87 HDAC3 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
Hydrochloric Acid SCHEMBL1147723 0.84 HTT (0.43) HDAC3HDAC1HDAC2HDAC6SMN1; SMN2
SCHEMBL1310492 0.82 SMN1; SMN2 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
Hydrochloric Acid SCHEMBL1147699 0.79 SMN1; SMN2 (0.42) HDAC3HDAC1HDAC2HDAC8HDAC6
Hydrochloric Acid SCHEMBL1147790 0.78 ALPI (0.43) SMN1; SMN2KDM4EALDH1A1TSHRMAPT
Hydrochloric Acid SCHEMBL1147805 0.78 GAA (0.47) KDM4EALDH1A1MAPTLMNA
Hydrochloric Acid SCHEMBL1147695 0.70 OPRK1 (0.39) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL1310609 0.69 HTT (0.45) HDAC3HDAC1HDAC2HDAC6SMN1; SMN2
SCHEMBL1056733 0.69 MAOB (0.44) SMN1; SMN2KDM4EALDH1A1HKDC1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058437-B2 (Pyrroloquinoxalinyl) pyrazinecarbohydrazide-oxalic acid co-crystal for treatment of cancer and other diseases NOVELIX PHARMACEUTICALS, INC. (US) 2011-11-15 US claimed
US-20110034473-A1 NOVEL (PYRROLOQUINOXALINYL) PYRAZINECARBOHYDRAZIDE-OXALIC ACID CO-CRYSTAL FOR TREATMENT OF CANCER AND OTHER DISEASES NOVELIX PHARMACEUTICALS, INC. (US) 2011-02-10 US claimed
EP-2276490-A1 NOVEL (PYRROLOQUINOXALINYL) PYRAZINECARBOHYDRAZIDE-OXALIC ACID CO-CRYSTAL FOR TREATMENT OF CANCER AND OTHER DISEASES Novelix Pharmaceuticals, Inc. (US) 2011-01-26 EP claimed
WO-2009126743-A1 NOVEL (PYRROLOQUINOXALINYL) PYRAZINECARBOHYDRAZIDE-OXALIC ACID CO-CRYSTAL FOR TREATMENT OF CANCER AND OTHER DISEASES NOVELIX PHARMACEUTICALS, INC. (US) 2009-10-15 WO claimed
US-8058437-B2 (Pyrroloquinoxalinyl) pyrazinecarbohydrazide-oxalic acid co-crystal for treatment of cancer and other diseases NOVELIX PHARMACEUTICALS, INC. (US) 2011-11-15 US disclosed
US-8058437-B2 (Pyrroloquinoxalinyl) pyrazinecarbohydrazide-oxalic acid co-crystal for treatment of cancer and other diseases NOVELIX PHARMACEUTICALS, INC. (US) 2011-11-15 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-20110034473-A1 NOVEL (PYRROLOQUINOXALINYL) PYRAZINECARBOHYDRAZIDE-OXALIC ACID CO-CRYSTAL FOR TREATMENT OF CANCER AND OTHER DISEASES NOVELIX PHARMACEUTICALS, INC. (US) 2011-02-10 US disclosed
US-20110034473-A1 NOVEL (PYRROLOQUINOXALINYL) PYRAZINECARBOHYDRAZIDE-OXALIC ACID CO-CRYSTAL FOR TREATMENT OF CANCER AND OTHER DISEASES NOVELIX PHARMACEUTICALS, INC. (US) 2011-02-10 US disclosed
EP-2276490-A1 NOVEL (PYRROLOQUINOXALINYL) PYRAZINECARBOHYDRAZIDE-OXALIC ACID CO-CRYSTAL FOR TREATMENT OF CANCER AND OTHER DISEASES Novelix Pharmaceuticals, Inc. (US) 2011-01-26 EP disclosed
EP-2276490-A1 NOVEL (PYRROLOQUINOXALINYL) PYRAZINECARBOHYDRAZIDE-OXALIC ACID CO-CRYSTAL FOR TREATMENT OF CANCER AND OTHER DISEASES Novelix Pharmaceuticals, Inc. (US) 2011-01-26 EP disclosed
WO-2009126743-A1 NOVEL (PYRROLOQUINOXALINYL) PYRAZINECARBOHYDRAZIDE-OXALIC ACID CO-CRYSTAL FOR TREATMENT OF CANCER AND OTHER DISEASES NOVELIX PHARMACEUTICALS, INC. (US) 2009-10-15 WO disclosed
WO-2009126743-A1 NOVEL (PYRROLOQUINOXALINYL) PYRAZINECARBOHYDRAZIDE-OXALIC ACID CO-CRYSTAL FOR TREATMENT OF CANCER AND OTHER DISEASES NOVELIX PHARMACEUTICALS, INC. (US) 2009-10-15 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 (2 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-20110034473-A1 NOVEL (PYRROLOQUINOXALINYL) PYRAZINECARBOHYDRAZIDE-OXALIC ACID CO-CRYSTAL FOR TREATMENT OF CANCER AND OTHER DISEASES PDXK, OTC, XDH HDAC3 3812/4885HDAC1 1425/4885HDAC2 1551/4885
US-20110275646-A1 Novel Compounds for Treatment of Cancer and Disorders Associated with Angiogenesis Function VEGFA, TEK, LIPG HDAC3 3355/4885HDAC1 3195/4885HDAC2 3958/4885

“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.