SCHEMBL9930734

SCHEMBL9930734

O=C(O)c1c[nH]c2cncnc12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
PRKAG1 P54619 11/20 0.38
PRKAA1 Q13131 11/20 0.38
PRKAB1 Q9Y478 11/20 0.38
PRKAB2 O43741 9/20 0.38
PRKAA2 P54646 9/20 0.38
PRKAG3 Q9UGI9 9/20 0.38
PRKAG2 Q9UGJ0 9/20 0.38
HCAR2 Q8TDS4 1/20 0.36
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM4E B2RXH2 3/20 0.34
CYP1A2 P05177 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HASPIN Q8TF76 1/20 0.34
KDM3B Q7LBC6 1/20 0.33
ASPH Q12797 1/20 0.33
KDM8 Q8N371 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
SCHEMBL14250022 0.84 PARP1 (0.42)
Hydrochloric Acid SCHEMBL1439122 0.83 PARP1 (0.41)
SCHEMBL9898861 0.80 SYK (0.36) KDM5AHASPIN
SCHEMBL29984777 0.80 SYK (0.36) KDM5AHASPIN
SCHEMBL28367235 0.78 NR4A2 (0.36) PRKAG1PRKAA1PRKAB1HASPIN
SCHEMBL6287186 0.77 ALDH1A1 (0.39)
SCHEMBL14406911 0.73 NTRK1 (0.44) F7F3PRKAG1PRKAA1PRKAB1
SCHEMBL27185501 0.73 PARP1 (0.45) KDM4EHSD17B10ASPHKDM8
SCHEMBL29893978 0.73 PARP1 (0.45) KDM4EHSD17B10ASPHKDM8
SCHEMBL22050802 0.72 KDM4E (0.45) F7F3PRKAG1PRKAA1PRKAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103582644-B Phthalazinone-Pyrrolopyrimidine Carboxamide Derivatives 塔科达有限责任公司 2016-07-20 CN disclosed
US-20120157439-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2012-06-21 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 (1 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-20120157439-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF F7 1925/4885F3 443/4885PRKAG1 559/4885

“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.