SCHEMBL11024059

SCHEMBL11024059

COc1ccc(-c2ncc3c(n2)-c2[nH]nc(C(=O)NCCCO)c2CC3)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 4/20 0.47
ACR P10323 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 2/20 0.39
TP53 P04637 2/20 0.39
TTK P33981 1/20 0.39
AURKA O14965 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38

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
SCHEMBL10219366 0.89 NAMPT (0.38) AURKACDK2HDAC3HDAC4HDAC1
SCHEMBL9940538 0.78 CDK2 (0.48) MAPKAPK2AURKACCNA2CDK2CCNA1
SCHEMBL9941217 0.78 CDK2 (0.48) MAPKAPK2KMT2ATTKAURKACCNA2
Trifluoroacetic Acid SCHEMBL9941222 0.75 CDK2 (0.47) AURKACCNA2CDK2CCNA1
SCHEMBL15377272 0.72 CDK2 (0.49) TTKAURKACCNA2CDK2CCNA1
SCHEMBL10216360 0.70 MAPKAPK2 (0.39) MAPKAPK2KMT2AMEN1MAPT
SCHEMBL9941223 0.69 CDK2 (0.45) MAPKAPK2AURKACCNA2CDK2CCNA1
SCHEMBL9940604 0.66 CDK2 (0.48) KMT2AMEN1MAPTTTKAURKA
SCHEMBL424760 0.66 MAPKAPK2 (0.54) MAPKAPK2KMT2AMEN1MAPTAURKA
SCHEMBL1909150 0.66 MAPKAPK2 (0.64) MAPKAPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2614065-B1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2017-04-19 EP disclosed
US-8541576-B2 Substituted pyrazolo-quinazoline derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL (IT) 2013-09-24 US disclosed
US-20120190678-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2012-07-26 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-20120190678-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS PIM1, PIM2, PIM3 MAPKAPK2 30/4885ACR 4648/4885NPC1 1776/4885

“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.