SCHEMBL9937702

SCHEMBL9937702

CC(C)(C)OC(=O)NCCCn1nc2c(c1C(=O)O)CCc1cnc(-c3ccc(F)cc3)nc1-2

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.36
BRD4 O60885 2/20 0.35
GBA1 P04062 1/20 0.35
BUB1 O43683 2/20 0.35
DRD2 P14416 1/20 0.35
CKS1B P61024 1/20 0.34
SKP1 P63208 1/20 0.34
SKP2 Q13309 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
S1PR1 P21453 1/20 0.34
TTK P33981 1/20 0.33
LATS1 O95835 1/20 0.33
P2RY14 Q15391 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
FAAH O00519 2/20 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
SCHEMBL9940669 0.87 CDK2 (0.41) GBA1
SCHEMBL11022674 0.82 HDAC6 (0.39) HDAC6TTK
SCHEMBL9940487 0.81 CDK2 (0.45) BUB1
SCHEMBL6793109 0.78 STK17B (0.38) BRD4DRD2CYP11B1CYP11B2
SCHEMBL4154678 0.77 CDK4 (0.37) BRD4
SCHEMBL9940813 0.76 TTK (0.35) BRD4GBA1DRD2CKS1BSKP1
SCHEMBL6791715 0.76 CDK2 (0.37) TTK
SCHEMBL4148130 0.76 CDK2 (0.57) TTK
SCHEMBL9937727 0.76 CDK2 (0.44)
SCHEMBL6794639 0.75 HCAR2 (0.42) BRD4DRD2CYP11B1CYP11B2

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-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
EP-2614065-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2013-07-17 EP disclosed
US-20120190678-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2012-07-26 US disclosed
WO-2012080990-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-06-21 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-20120190678-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS PIM1, PIM2, PIM3 HDAC6 765/4885BRD4 395/4885GBA1 3107/4885

“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.