SCHEMBL9937031

SCHEMBL9937031

CC(=O)Oc1ccc(N2CCN(C)CC2)cc1Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
MAPT P10636 2/20 0.49
ALOX15 P16050 1/20 0.49
ALOX12 P18054 1/20 0.49
NR4A1 P22736 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 2/20 0.44
ACHE P22303 1/20 0.43
SIRT6 Q8N6T7 3/20 0.43
MAPK1 P28482 1/20 0.43
HTR1B P28222 3/20 0.42
HTR3A P46098 1/20 0.42
HTR1D P28221 2/20 0.41
HTR1A P08908 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL20672459 0.84 NPC1 (0.46) SMN1; SMN2MAPTNPC1RAB9APOLB
SCHEMBL9937342 0.75 GAA (0.57) SMN1; SMN2MAPTHSD17B10NPC1RAB9A
SCHEMBL29887105 0.74 MAPT (0.49) SMN1; SMN2MAPTALOX15ALOX12NR4A1
SCHEMBL28833235 0.74 MAPT (0.49) SMN1; SMN2MAPTALOX15ALOX12NR4A1
SCHEMBL28511304 0.74 ALDH1A1 (0.50) SMN1; SMN2MAPTHSD17B10LMNAMAPK1
SCHEMBL11023254 0.73 GAA (0.51) SMN1; SMN2MAPTNPC1RAB9ATSHR
SCHEMBL9936566 0.73 SIRT6 (0.53) SMN1; SMN2MAPTNPC1RAB9ATSHR
SCHEMBL13243994 0.72 SIRT6 (0.63) MAPTNPC1RAB9APOLBACHE
SCHEMBL1316907 0.71 PTGS1 (0.60) HSD17B10RAB9ALMNATSHRMAPK1
SCHEMBL29067465 0.71 SIRT6 (0.64) SMN1; SMN2MAPTALOX15ALOX12NR4A1

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 SMN1; SMN2 3896/4885MAPT 2562/4885ALOX15 4761/4885

“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.