SCHEMBL2213323

SCHEMBL2213323

CS(=O)(=O)c1nc(-c2ccc(-c3ccc(F)cc3)cc2)cc2ccnn12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
KDM4E B2RXH2 6/20 0.44
NPSR1 Q6W5P4 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MITF O75030 1/20 0.44
LMNA P02545 1/20 0.44
STAT3 P40763 1/20 0.44
STAT1 P42224 1/20 0.44
TLR9 Q9NR96 1/20 0.44
PTGS2 P35354 8/20 0.38
PTGS1 P23219 3/20 0.37
HPGD P15428 5/20 0.37
HSD17B10 Q99714 2/20 0.37
NPC1 O15118 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 2/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
SCN9A Q15858 1/20 0.36

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
SCHEMBL2214081 0.88 SCD (0.42) ALDH1A1KDM4ENPSR1RAB9ASMN1; SMN2
SCHEMBL2876715 0.85 PLCG1 (0.43) ALDH1A1KDM4ENPSR1RAB9ASMN1; SMN2
SCHEMBL2881702 0.85 KDM4E (0.45) ALDH1A1KDM4ENPSR1RAB9ASMN1; SMN2
SCHEMBL2209540 0.81 BPTF (0.36) ALDH1A1KDM4ENPSR1RAB9ASMN1; SMN2
SCHEMBL2211402 0.80 BPTF (0.37) ALDH1A1KDM4ENPSR1RAB9ASMN1; SMN2
SCHEMBL2211698 0.80 DHODH (0.44) ALDH1A1KDM4ENPSR1MITFLMNA
SCHEMBL2211383 0.78 CYP2C9 (0.45) ALDH1A1RAB9ASMN1; SMN2PTGS2NPC1
SCHEMBL2209412 0.77 ABL1 (0.41) ALDH1A1KDM4ENPSR1RAB9ASMN1; SMN2
SCHEMBL2882272 0.77 FYN (0.48) ALDH1A1KDM4ENPSR1RAB9ASMN1; SMN2
SCHEMBL2877011 0.76 ALDH1A1 (0.41) ALDH1A1KDM4ENPSR1RAB9ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797096-B1 PYRAZOLOPYRIMIDINES AS INHIBITORS OF PROTEIN KINASE B (AKT) BAYER SCHERING PHARMA AG (DE) 2011-07-27 EP disclosed
US-7745446-B2 Pyrazolo[1,5-c]pyrimidines BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-29 US disclosed
US-20070254046-A1 Novel Pyrazolopyrimidines ALTANA PHARMA AG (DE) 2007-11-01 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 (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-20070254046-A1 Novel Pyrazolopyrimidines MCL1, RARS2, CDK4 ALDH1A1 1334/4885KDM4E 3784/4885NPSR1 3212/4885

“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.