SCHEMBL11031076

SCHEMBL11031076

Nc1nc2ccccn2c1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.50
USP7 Q93009 3/20 0.47
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 4/20 0.47
GLA P06280 4/20 0.47
GAA P10253 4/20 0.47
NPC1 O15118 3/20 0.47
HPGD P15428 3/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
DAPK3 O43293 1/20 0.45
JAK2 O60674 1/20 0.45
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45
ABL1 P00519 1/20 0.45
CSF1R P07333 1/20 0.45
RET P07949 1/20 0.45
MET P08581 1/20 0.45
PDGFRA P16234 1/20 0.45
PRKACA P17612 1/20 0.45

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
SCHEMBL20989729 0.82 DAPK3 (0.49) HSD17B10USP7KDM4EALDH1A1GLA
SCHEMBL23530810 0.78 HSD17B10 (0.46) HSD17B10KDM4EALDH1A1GLAGAA
SCHEMBL21863415 0.76 HSD17B10 (0.51) HSD17B10USP7KDM4EALDH1A1GLA
SCHEMBL14116551 0.76 NPC1 (0.58) HSD17B10KDM4EALDH1A1GLAGAA
SCHEMBL16403322 0.76 PTGS1 (0.51) HSD17B10KDM4EALDH1A1GLAGAA
SCHEMBL8353515 0.75 HSD17B10 (0.46) HSD17B10KDM4EALDH1A1GLAGAA
SCHEMBL2487136 0.75 KDM4E (0.47) HSD17B10KDM4EALDH1A1GLAGAA
SCHEMBL31423761 0.75 HSD17B10 (0.50) HSD17B10KDM4EALDH1A1GLAGAA
SCHEMBL1583910 0.73 PTGS1 (0.60) HSD17B10KDM4EALDH1A1GLAGAA
Hydrochloric Acid SCHEMBL23530763 0.73 HSD17B10 (0.45) HSD17B10KDM4EALDH1A1GLAGAA

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-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 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-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors PIK3CA, PIKFYVE, PIK3CD HSD17B10 1569/4885USP7 3522/4885KDM4E 1665/4885

“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.