SCHEMBL9940993

SCHEMBL9940993

CCOC(=O)c1n[nH]c2c1ccc1cnc(SC)nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
POLB P06746 2/20 0.44
ALDH1A1 P00352 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
MAPT P10636 4/20 0.41
PIM1 P11309 3/20 0.41
TTK P33981 3/20 0.41
PIM2 Q9P1W9 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SYK P43405 2/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.39
MAPK1 P28482 2/20 0.39
HTT P42858 1/20 0.39
FOS P01100 1/20 0.37
JUN P05412 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37

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
SCHEMBL9940611 0.82 PIM1 (0.49) KDM4EKMT2AMEN1ALDH1A1MAPT
SCHEMBL12466601 0.80 ALDH1A1 (0.44) KMT2AMEN1POLBALDH1A1TDP1
SCHEMBL6053097 0.78 KDM4E (0.41) KDM4EKMT2AMEN1POLBALDH1A1
SCHEMBL11022808 0.77 PIM1 (0.50) KDM4EKMT2AMEN1POLBALDH1A1
SCHEMBL10216016 0.75 PIM1 (0.46) KDM4EKMT2AMEN1POLBALDH1A1
SCHEMBL9940638 0.74 PIM1 (0.54) KDM4EKMT2AMEN1POLBALDH1A1
SCHEMBL1963577 0.72 KDM4E (0.52) KDM4EKMT2AMEN1POLBALDH1A1
SCHEMBL9940569 0.72 PIM1 (0.45) KDM4EKMT2AMEN1POLBALDH1A1
SCHEMBL5768489 0.70 MEN1 (0.66) KDM4EKMT2AMEN1POLBALDH1A1
SCHEMBL2160733 0.69 MEN1 (0.54) KDM4EKMT2AMEN1POLBALDH1A1

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 11 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
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-8541576-B2 Substituted pyrazolo-quinazoline derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL (IT) 2013-09-24 US 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
US-20120190678-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2012-07-26 US 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
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 KDM4E 1097/4885KMT2A 1550/4885MEN1 4293/4885

“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.