SCHEMBL1168282

SCHEMBL1168282

N#CC1Oc2ccc([N+](=O)[O-])cc2O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.42
CHRNB4 P30926 4/20 0.41
CHRNA3 P32297 4/20 0.41
ALDH1A1 P00352 4/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
LNPEP Q9UIQ6 1/20 0.38
P2RY6 Q15077 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38
PTPRC P08575 1/20 0.37

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
SCHEMBL6258588 0.77 TDP1 (0.44) CHRNB4CHRNA3ALDH1A1GAACA12
SCHEMBL10843781 0.77 CHRNB4 (0.47) CHRNB4CHRNA3ALDH1A1CA12CA1
SCHEMBL11549727 0.75 KDM4E (0.43) CHRNB4CHRNA3ALDH1A1LMNATSHR
SCHEMBL1168091 0.75 ADRA2A (0.42) CHRNB4CHRNA3ALDH1A1GAASMN1; SMN2
SCHEMBL9571113 0.73 CHRNB4 (0.44) CHRNB4CHRNA3ALDH1A1SMN1; SMN2CA12
SCHEMBL1168402 0.73 POLB (0.50) CHRNB4CHRNA3ALDH1A1SMN1; SMN2TSHR
SCHEMBL12862887 0.72 PNMT (0.45) CHRNB4CHRNA3ALDH1A1GAASMN1; SMN2
SCHEMBL12862897 0.72 LOXL2 (0.41) CHRNB4CHRNA3ALDH1A1GAACA12
SCHEMBL1169205 0.72 KMT2A (0.44) CHRNB4CHRNA3ALDH1A1GAASMN1; SMN2
SCHEMBL14780632 0.72 MEN1 (0.43) VCAM1CHRNB4CHRNA3ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773835-B1 PYRIDO-PYRIDO-PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, THERAPEUTIC USE THEREOF FOR TREATING CANCER SANOFI SA (FR) 2014-09-24 EP disclosed
US-7893259-B2 Pyrido-pyrimidine derivatives, preparation thereof, and therapeutic use thereof SANOFI-AVENTIS (FR) 2011-02-22 US disclosed
US-20090233923-A1 PYRIDO-PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-09-17 US disclosed
US-7544682-B2 Pyrido-pyrimidine derivatives, preparation thereof, and therapeutic use thereof SANOFI-AVENTIS (FR) 2009-06-09 US disclosed
US-20070167469-A1 Pyrido-pyrimidine derivatives, preparation thereof, and therapeutic use thereof SANOFI-AVENTIS (FR) 2007-07-19 US disclosed
EP-1773835-A2 PYRIDO-PYRIDO-PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, THERAPEUTIC USE THEREOF FOR TREATING CANCER Sanofi-Aventis (FR) 2007-04-18 EP disclosed
WO-2006016067-A2 PYRIDO-PYRIDO PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, THERAPEUTIC USE THEREOF FOR TREATING CANCER SANOFI-AVENTIS (FR) 2006-02-16 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-20070167469-A1 Pyrido-pyrimidine derivatives, preparation thereof, and therapeutic use thereof DPYD, PNPO, TYMP VCAM1 4595/4885CHRNB4 3274/4885CHRNA3 2171/4885
US-20090233923-A1 PYRIDO-PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF DPYD, PNPO, TYMP VCAM1 4587/4885CHRNB4 3377/4885CHRNA3 2161/4885

“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.