SCHEMBL13249653

SCHEMBL13249653

CN1CCN(c2ccc(OCF)c(NC(=N)N)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.48
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 4/20 0.40
HSD17B10 Q99714 2/20 0.40
TSHR P16473 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
NR4A1 P22736 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PLK1 P53350 4/20 0.39
MAPK1 P28482 2/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
PTK2B Q14289 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HDAC3 O15379 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
SCHEMBL25626645 0.87 HTR6 (0.46) HTR6NPC1POLBRAB9AMAPT
SCHEMBL3503562 0.83 PLK1 (0.52) HTR6PLK1FLT3
SCHEMBL443851 0.77 IRAK4 (0.50) HTR6NPC1POLBRAB9AMAPT
Alcohol SCHEMBL440281 0.76 EGFR (0.48) HTR6NPC1POLBRAB9APLK1
SCHEMBL409329 0.76 PLK1 (0.45) NPC1POLBRAB9AMAPTPLK1
SCHEMBL25626293 0.72 PLK1 (0.45) MAPTPLK1MAPK1FLT3
SCHEMBL12766942 0.72 HTR6 (0.57) HTR6NPC1POLBRAB9AMAPT
SCHEMBL2256647 0.72 HTR3A (0.42) NPC1RAB9AMAPTSMN1; SMN2MAPK1
SCHEMBL25625317 0.71 PLK1 (0.46) HTR6PLK1FLT3
SCHEMBL1527209 0.71 PLK1 (0.52) NPC1POLBRAB9APLK1FLT3

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 3707/4885NPC1 3380/4885POLB 1889/4885

“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.