SCHEMBL349975

SCHEMBL349975

Cc1cc(C)c2c(=O)[nH]cnc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.59
CHEK1 O14757 2/20 0.54
PIM1 P11309 2/20 0.54
RPS6KA3 P51812 1/20 0.54
PDPK1 O15530 3/20 0.42
IP6K1 Q92551 1/20 0.39
CA12 O43570 1/20 0.39
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA9 Q16790 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
AKT1 P31749 1/20 0.39
FLT3 P36888 1/20 0.39
PIM3 Q86V86 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
SCHEMBL15170347 0.82 PARP1 (0.51) PARP1CHEK1PIM1RPS6KA3PDPK1
SCHEMBL20435417 0.78 PARP1 (0.54) PARP1CHEK1PIM1RPS6KA3PDPK1
SCHEMBL2317275 0.74 PARP1 (1.00) PARP1CHEK1PIM1RPS6KA3PDPK1
SCHEMBL20187523 0.74 PARP1 (0.59) PARP1CHEK1PIM1RPS6KA3PDPK1
SCHEMBL29563063 0.74 PARP1 (1.00) PARP1CHEK1PIM1RPS6KA3PDPK1
SCHEMBL8404371 0.72 PARP1 (0.43) PARP1CHEK1PIM1RPS6KA3SMN1; SMN2
SCHEMBL13659505 0.70 PARP1 (0.64) PARP1CHEK1PIM1RPS6KA3PDPK1
SCHEMBL20435418 0.70 PARP1 (0.50) PARP1CHEK1PIM1RPS6KA3PDPK1
SCHEMBL19754917 0.70 PARP1 (0.54) PARP1CHEK1PIM1RPS6KA3PDPK1
SCHEMBL29967230 0.70 PARP1 (1.00) PARP1CHEK1PIM1RPS6KA3PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180215737-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND PREPARATION AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2018-08-02 US disclosed
US-8889698-B2 Compounds for the prevention and treatment of cardiovascular diseases RESVERLOGIX CORP. (CA) 2014-11-18 US disclosed
US-20120015905-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. 2012-01-19 US disclosed
EP-0056637-A1 4(3H)-quinazolinone derivatives, process for production thereof and pharmaceutical compositions comprising said compounds Ishikawa, Masayuki (JP) 1982-07-28 EP 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-20120015905-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 PARP1 3268/4885CHEK1 4467/4885PIM1 3738/4885
US-20180215737-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND PREPARATION AND USES THEREOF HCRTR1, HCRTR2, NPY5R PARP1 3285/4885CHEK1 3864/4885PIM1 4472/4885

“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.