SCHEMBL3929469

SCHEMBL3929469

Clc1ncccc1-c1cc(C2CCC[N]2)on1

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.32
HCRTR2 O43614 5/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
ALOX5AP P20292 1/20 0.31
RET P07949 4/20 0.31
PLAT P00750 1/20 0.31
ACP1 P24666 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
STAT3 P40763 1/20 0.30
STAT1 P42224 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL3927571 0.85 HCRTR1 (0.35) HCRTR1HCRTR2ALOX5APRET
SCHEMBL3922291 0.84 SMYD3 (0.35) HCRTR1HCRTR2ALOX5APRET
SCHEMBL11843303 0.83 STAT3 (0.43) NPC1RAB9AALDH1A1RETPLAT
SCHEMBL3919791 0.82 BACE1 (0.32) HCRTR1HCRTR2RET
SCHEMBL3858720 0.82 HCRTR1 (0.47) HCRTR1HCRTR2ALOX5APACP1
SCHEMBL3851051 0.80 NPC1 (0.31) NPC1RAB9AALDH1A1
SCHEMBL3853970 0.79 NPC1 (0.40) NPC1RAB9AALDH1A1MAPTPKM
SCHEMBL3919389 0.77 CHRNB2 (0.50) ACP1CHRNB2CHRNA4
SCHEMBL3922338 0.77 CHRNB2 (0.50) ACP1CHRNB2CHRNA4
SCHEMBL4917420 0.75 HCRTR1 (0.35) HCRTR1HCRTR2NPC1RAB9ARET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663204-A4 C-KIT MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2008-08-13 EP claimed
JP-2007504160-A 2007-03-01 JP claimed
EP-1663204-A2 C-KIT MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-06-07 EP claimed
WO-2005020921-A2 C-KIT MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-03-10 WO claimed
EP-1869032-B8 PYRIMIDINE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2009-03-25 EP disclosed
EP-1869032-B1 PYRIMIDINE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2008-08-13 EP disclosed
US-20080167297-A1 Pyrimidine Derivatives for Use as Anticancer Agents ASTRAZENECA AB (SE) 2008-07-10 US disclosed
EP-1869032-A1 PYRIMIDINE DERIVATIVES FOR USE AS ANTICANCER AGENTS AstraZeneca AB (SE) 2007-12-26 EP disclosed
WO-2006106307-A1 PYRIMIDINE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2006-10-12 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 (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-20080167297-A1 Pyrimidine Derivatives for Use as Anticancer Agents IGF1R, TYMP, IGFBP1 HCRTR1 4170/4885HCRTR2 4357/4885NPC1 2756/4885

“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.