SCHEMBL15714749

SCHEMBL15714749

Cc1ccc2[nH]c(=O)c3ccccc3n12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 13/20 0.53
CYP1A2 P05177 2/20 0.53
LCK P06239 1/20 0.43
PRKACA P17612 1/20 0.43
CSNK2A2 P19784 1/20 0.43
PRKACG P22612 1/20 0.43
PRKACB P22694 1/20 0.43
GSK3B P49841 1/20 0.43
CSNK2B P67870 1/20 0.43
CSNK2A1 P68400 1/20 0.43
DYRK1A Q13627 1/20 0.43
CSNK2A3 Q8NEV1 1/20 0.43
HPGD P15428 2/20 0.41
CYP2C9 P11712 1/20 0.41
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
CHEK1 O14757 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL16695803 0.77 PARP1 (0.54) PARP1CYP1A2LCKPRKACACSNK2A2
SCHEMBL22045220 0.74 LCK (0.55) PARP1CYP1A2LCKPRKACACSNK2A2
SCHEMBL22045317 0.72 CDC25B (0.54) PARP1CYP1A2LCKPRKACACSNK2A2
SCHEMBL29893199 0.71 PARP1 (0.48) PARP1CYP1A2LCKPRKACACSNK2A2
SCHEMBL31515754 0.70 PARP1 (0.47) PARP1CYP1A2LCKPRKACACSNK2A2
SCHEMBL15083751 0.70 PARP1 (0.47) PARP1CYP1A2LCKPRKACACSNK2A2
SCHEMBL26826893 0.70 CDC25B (0.72) PARP1CYP1A2LCKPRKACACSNK2A2
SCHEMBL24554000 0.69 CYP1A2 (0.33) PARP1CYP1A2KDM4EGAAALDH1A1
SCHEMBL25331456 0.69 ALDH1A1 (0.43) PARP1CYP1A2LCKPRKACACSNK2A2
SCHEMBL29792766 0.69 PARP1 (1.00) PARP1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2917203-B1 METHOD FOR IDENTIFYING MYC INHIBITORS DANA FARBER CANCER INST INC (US) 2019-04-03 EP disclosed
US-9567301-B2 Pyrrol-1-yl benzoic acid derivatives useful as myc inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-02-14 US disclosed
US-9540320-B2 2017-01-10 US disclosed
US-20150291521-A1 PYRROL-1-YL BENZOIC ACID DERIVATIVES USEFUL AS MYC INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. 2015-10-15 US disclosed
WO-2014071247-A1 PYRROL-1 -YL BENZOIC ACID DERIVATES USEFUL AS MYC INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2014-05-08 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 (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-20150291521-A1 PYRROL-1-YL BENZOIC ACID DERIVATIVES USEFUL AS MYC INHIBITORS MYC, MYCBP, YAP1 PARP1 1149/4885CYP1A2 1917/4885LCK 2617/4885

“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.