SCHEMBL755622

SCHEMBL755622

O=C(Nc1cc(F)ccc1F)n1cc[c]n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 3/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TP53 P04637 2/20 0.39
LMNA P02545 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 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
SCHEMBL760516 0.84 RAB9A (0.49) NPC1RAB9APOLBKMT2AALDH1A1
SCHEMBL752990 0.74 MAPT (0.54) POLBKMT2ATSHRMAPTMEN1
SCHEMBL11032471 0.72 NPC1 (0.49) NPC1RAB9APOLBKMT2AALDH1A1
SCHEMBL11028201 0.72 MEN1 (0.52) RAB9APOLBKMT2AALDH1A1TSHR
SCHEMBL752278 0.70 MEN1 (0.49) NPC1RAB9APOLBKMT2AALDH1A1
SCHEMBL28544444 0.70 POLB (0.48) NPC1RAB9APOLBPKMKMT2A
SCHEMBL7364824 0.70 TAS1R3 (0.45) NPC1RAB9APOLBKMT2AALDH1A1
SCHEMBL758028 0.70 MAPT (0.49) NPC1RAB9APOLBKMT2AALDH1A1
SCHEMBL15577575 0.69 SMN1; SMN2 (0.57) NPC1RAB9APOLBPKMKMT2A
SCHEMBL11029424 0.69 RAB9A (0.46) NPC1RAB9APOLBKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430013-B1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC (US) 2014-10-15 EP claimed
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 US claimed
EP-2430013-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS Amgen, Inc (US) 2012-03-21 EP claimed
WO-2010132598-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC. (US) 2010-11-18 WO claimed
EP-2430013-B1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC (US) 2014-10-15 EP disclosed
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 US disclosed
EP-2430013-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS Amgen, Inc (US) 2012-03-21 EP disclosed
WO-2010132598-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC. (US) 2010-11-18 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-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors PIK3CA, PIKFYVE, PIK3CD NPC1 732/4885RAB9A 677/4885POLB 1182/4885

“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.