SCHEMBL974081

SCHEMBL974081

Cn1cc(-c2ccccc2)nc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
ALDH1A1 P00352 7/20 0.45
HPGD P15428 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 5/20 0.44
PKM P14618 3/20 0.44
MAPT P10636 2/20 0.44
PDE10A Q9Y233 9/20 0.44
ALDH1A3 P47895 1/20 0.44
TP53 P04637 3/20 0.43
TSHR P16473 3/20 0.43
HSD17B10 Q99714 3/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
TLR8 Q9NR97 1/20 0.42
CASP1 P29466 1/20 0.42

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
SCHEMBL23539708 0.82 TLR8 (0.51) NPC1RAB9AALDH1A1KDM4EMAPT
SCHEMBL724249 0.78 PDE3B (0.55) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL8830111 0.78 KDM4E (0.49) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL5318358 0.76 ALDH1A1 (0.63) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL14845272 0.76 ALDH1A1 (0.44) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL8830107 0.76 ALDH1A1 (0.44) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL259076 0.76 PDE10A (0.52) PDE10A
Hydrochloric Acid SCHEMBL16972416 0.74 PDE10A (0.51) PDE10A
SCHEMBL12362428 0.73 PDE10A (0.54) PDE10A
SCHEMBL17300890 0.73 ALDH1A1 (0.42) NPC1RAB9AALDH1A1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868177-B2 Multi-cyclic compounds and method of use AMGEN INC. (US) 2011-01-11 US disclosed
EP-1994030-B1 MULTI-CYCLIC COMPOUNDS AND METHOD OF USE AMGEN INC (US) 2010-08-25 EP disclosed
EP-1994030-A1 MULTI-CYCLIC COMPOUNDS AND METHOD OF USE Amgen Inc. (US) 2008-11-26 EP disclosed
US-20070213325-A1 Multi-cyclic compound and method of use AMGEN INC. (US) 2007-09-13 US disclosed
WO-2007100646-A1 MULTI-CYCLIC COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2007-09-07 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-20070213325-A1 Multi-cyclic compound and method of use TIE1, CDK1, CCNB1 NPC1 3836/4885RAB9A 3452/4885ALDH1A1 1944/4885

“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.