SCHEMBL10037033

SCHEMBL10037033

N#Cc1cnc(Cl)c2c1CCCC2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
NSD2 O96028 1/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CSNK1A1 P48729 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
ALDH1A1 P00352 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTT P42858 3/20 0.38
GLA P06280 1/20 0.38
KHK P50053 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PIN1 Q13526 1/20 0.33
CYP11B2 P19099 1/20 0.33

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
SCHEMBL14988176 0.96 CSNK1A1 (0.40) SMN1; SMN2NSD2MAPK1KDM4ECSNK1A1
SCHEMBL30886311 0.85 KHK (0.40) SMN1; SMN2CSNK1A1CLK4ALDH1A1NPSR1
SCHEMBL25020899 0.76 KDM4E (0.44) KDM4EALDH1A1TDP1HTTL3MBTL1
SCHEMBL14998531 0.74 CSNK1A1 (0.39) SMN1; SMN2CSNK1A1CLK4ALDH1A1NPSR1
SCHEMBL27846918 0.74 ALDH1A1 (0.36) SMN1; SMN2MAPK1KDM4ECSNK1A1CLK4
SCHEMBL27687020 0.74 ALDH1A1 (0.36) SMN1; SMN2MAPK1KDM4ECSNK1A1CLK4
SCHEMBL22890488 0.73 KDM4E (0.42) MAPK1KDM4ECSNK1A1CLK4ALDH1A1
SCHEMBL14988456 0.72 ALDH1A1 (0.36) MAPK1KDM4EALDH1A1L3MBTL1
SCHEMBL7815570 0.70 CSNK1A1 (0.45) SMN1; SMN2KDM4ECSNK1A1CLK4ALDH1A1
SCHEMBL3826388 0.69 CSNK1A1 (0.41) KDM4ECSNK1A1CLK4ALDH1A1NPSR1

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-2599774-B1 CONDENSED PYRIDINE COMPOUNDS AS CB2 CANNABINOID RECEPTOR LIGANDS ASTELLAS PHARMA INC (JP) 2016-07-06 EP disclosed
US-8791106-B2 Fused ring pyridine compound ASTELLAS PHARMA INC. (JP) 2014-07-29 US disclosed
US-8791106-B2 Fused ring pyridine compound ASTELLAS PHARMA INC. (JP) 2014-07-29 US disclosed
US-20130143874-A1 FUSED RING PYRIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-06-06 US disclosed
US-20130143874-A1 FUSED RING PYRIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-06-06 US disclosed
EP-2599774-A1 CONDENSED RING PYRIDINE COMPOUND Astellas Pharma Inc. (JP) 2013-06-05 EP disclosed
EP-2599774-A1 CONDENSED RING PYRIDINE COMPOUND Astellas Pharma Inc. (JP) 2013-06-05 EP disclosed
WO-2012014963-A1 CONDENSED RING PYRIDINE COMPOUND アステラス製薬株式会社 (JP) 2012-02-02 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-20130143874-A1 FUSED RING PYRIDINE COMPOUND CNR2, CNR1, TRPV1 SMN1; SMN2 3187/4885NSD2 2937/4885MAPK1 2223/4885

“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.