SCHEMBL2029263

SCHEMBL2029263

Cc1c[nH]c2cccc([N+](=O)[O-])c2c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TDP1 Q9NUW8 4/20 0.46
HSD17B10 Q99714 1/20 0.44
CLK1 P49759 1/20 0.43
BACE1 P56817 2/20 0.43
GAA P10253 2/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
ATM Q13315 1/20 0.41
DNA2 P51530 1/20 0.40
CASP6 P55212 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
NOS1 P29475 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GPR84 Q9NQS5 1/20 0.39
NPC1 O15118 2/20 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
SCHEMBL395905 0.89 TDP1 (0.50) TSHRSMN1; SMN2TDP1HSD17B10CLK1
SCHEMBL29811443 0.89 TDP1 (0.50) TSHRSMN1; SMN2TDP1HSD17B10CLK1
SCHEMBL16730912 0.78 GPR84 (0.56) ATMGPR84NPC1CYP1A2
SCHEMBL5259970 0.78 IMPDH2 (0.45) SMN1; SMN2TDP1CLK1BACE1GAA
SCHEMBL1943316 0.76 CLK1 (0.46) TSHRSMN1; SMN2TDP1CLK1BACE1
SCHEMBL28784022 0.76 CLK1 (0.46) TSHRSMN1; SMN2TDP1CLK1BACE1
SCHEMBL3786029 0.76 CLK1 (0.46) TSHRSMN1; SMN2TDP1CLK1BACE1
SCHEMBL6583553 0.76 CLK1 (0.46) TSHRSMN1; SMN2TDP1CLK1BACE1
SCHEMBL29236563 0.76 CLK1 (0.55) TSHRSMN1; SMN2TDP1CLK1BACE1
SCHEMBL11611366 0.75 CLK1 (0.43) TSHRSMN1; SMN2TDP1HSD17B10CLK1

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-9096624-B2 Amino pyrimidine anticancer compounds OSI Pharmaceuticals, LLC (US) 2015-08-04 US disclosed
CN-102448955-B Aminopyrimidine Anticancer Compounds OSI PHARM INC 2014-06-18 CN disclosed
US-20130231306-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI Pharmaceuticals, LLC (US) 2013-09-05 US disclosed
US-8399433-B2 Amino pyrimidine anticancer compounds OSI Pharmaceuticals, LLC (US) 2013-03-19 US disclosed
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2011-06-09 US 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-20130231306-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS TSHR 4171/4885SMN1; SMN2 1215/4885TDP1 472/4885
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS TSHR 4171/4885SMN1; SMN2 1215/4885TDP1 472/4885

“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.