SCHEMBL751298

SCHEMBL751298

NC(=O)N(Cc1ccccc1)c1c[c]ccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HTT P42858 2/20 0.46
RAB9A P51151 2/20 0.46
PAX8 Q06710 2/20 0.46
GLA P06280 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.42
TSPO P30536 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
PDK1 Q15118 1/20 0.40
JAK2 O60674 1/20 0.39

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
SCHEMBL3395400 0.89 NPC1 (0.50) NPC1ALDH1A1HTTRAB9APAX8
SCHEMBL1385749 0.84 ALDH1A1 (0.62) NPC1ALDH1A1HTTRAB9APAX8
SCHEMBL4797271 0.83 NPC1 (0.50) NPC1ALDH1A1HTTRAB9APAX8
Hydrochloric Acid SCHEMBL27540694 0.82 NPC1 (0.61) NPC1ALDH1A1HTTRAB9APAX8
SCHEMBL2037036 0.80 ALDH1A1 (0.44) ALDH1A1HTTGLASMN1; SMN2MEN1
SCHEMBL28211215 0.79 TSPO (0.40) NPC1ALDH1A1HTTRAB9APAX8
SCHEMBL7016068 0.76 TSHR (0.35) NPC1ALDH1A1HTTRAB9ASMN1; SMN2
SCHEMBL8124046 0.76 TSHR (0.39) NPC1ALDH1A1HTTRAB9APAX8
SCHEMBL4798032 0.76 NPSR1 (0.45) NPC1ALDH1A1HTTRAB9ASMN1; SMN2
SCHEMBL6999170 0.75 TSHR (0.50) ALDH1A1GLASMN1; SMN2KMT2ATSHR

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 13 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
US-7427616-B2 Condensed pyridines and pyrimidines with tie2 (TEK) activity ASTRAZENECA AB (SE) 2008-09-23 US disclosed
EP-1537112-B1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2006-04-19 EP disclosed
US-20050256140-A1 Condensed pyridines and pyrimidines with tie2 (tek) activity ASTRAZENECA AB (SE) 2005-11-17 US disclosed
EP-1537112-A1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY Astrazeneca AB (SE) 2005-06-08 EP disclosed
WO-2004013141-A1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2004-02-12 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 (2 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 732/4885ALDH1A1 4785/4885HTT 857/4885
US-20050256140-A1 Condensed pyridines and pyrimidines with tie2 (tek) activity TIE1, TEK, KDR NPC1 4851/4885ALDH1A1 2177/4885HTT 4093/4885

“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.