SCHEMBL13225331

SCHEMBL13225331

CNc1cc(N2CCN(C)CC2)ccc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.64
MAPT P10636 4/20 0.56
EGFR P00533 1/20 0.53
ERBB3 P21860 1/20 0.53
SIRT6 Q8N6T7 1/20 0.52
POLB P06746 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
ALK Q9UM73 1/20 0.48
HTR3A P46098 1/20 0.45
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
GAA P10253 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPK1 P28482 2/20 0.44
PLK1 P53350 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
PTK2B Q14289 1/20 0.44
HTR1A P08908 1/20 0.44

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
SCHEMBL12718983 0.88 SIRT6 (0.56) HTR6MAPTEGFRSIRT6POLB
SCHEMBL27403161 0.83 LRRK2 (0.52) HTR6MAPTPOLBNPC1RAB9A
SCHEMBL14180560 0.82 SIRT6 (0.51) HTR6MAPTSIRT6ALKALDH1A1
SCHEMBL13243994 0.82 SIRT6 (0.63) HTR6MAPTSIRT6POLBNPC1
SCHEMBL12766942 0.81 HTR6 (0.57) HTR6MAPTEGFRSIRT6POLB
SCHEMBL16250621 0.79 HTR6 (0.59) HTR6MAPTEGFRERBB3SIRT6
SCHEMBL1911838 0.79 SIRT6 (0.56) HTR6MAPTSIRT6POLBNPC1
SCHEMBL13225328 0.79 MAPT (0.60) HTR6MAPTNPC1RAB9AHTR3A
SCHEMBL3148347 0.78 HTR6 (1.00) HTR6MAPTSIRT6POLBGAA
SCHEMBL24220404 0.78 MAPT (0.58) HTR6MAPTNPC1RAB9AHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216808-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L (IT) 2010-08-26 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-20100216808-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K5, MAP3K9, MAP4K2 HTR6 3707/4885MAPT 2462/4885EGFR 838/4885

“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.