SCHEMBL5496988

SCHEMBL5496988

Cc1nc(Cl)c(CCOS(C)(=O)=O)c(Nc2ccc(C(F)(F)F)cc2Cl)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.36
MAPT P10636 4/20 0.36
KDM4E B2RXH2 1/20 0.36
MCL1 Q07820 3/20 0.35
LRRK2 Q5S007 2/20 0.35
POLB P06746 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTT P42858 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
EGFR P00533 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
SCHEMBL4765655 0.91 MEN1 (0.34) MAPTKDM4EMCL1LRRK2POLB
SCHEMBL4769088 0.86 THRB (0.38) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL3270971 0.81 THRB (0.38) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL5491121 0.78 LRRK2 (0.37) MAPTKDM4ELRRK2POLBMEN1
SCHEMBL5492382 0.75 CRHR1 (0.36)
SCHEMBL2190430 0.73 EGFR (0.33) MAPTKDM4ELRRK2POLBMEN1
SCHEMBL11043423 0.72 KDM4E (0.38) MAPTKDM4EPOLBMEN1KMT2A
SCHEMBL2191701 0.72 TRPV1 (0.36) MCL1LRRK2MEN1KMT2ATSHR
SCHEMBL5571885 0.69 THRB (0.38) MAPTKMT2ALMNAGAASMN1; SMN2
Alcohol SCHEMBL11043422 0.68 KDM4E (0.38) MAPTKDM4EPOLBLMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7279474-B2 Substituted pyrrolo[2,3-d]pyrimidines as antagonists of the corticotropin releasing factor (CRF) GLAXO GROUP LIMITED (GB) 2007-10-09 US disclosed
US-20040176400-A1 Fused pyrimidines as antagonists of the corticotropin releasing factor (crf) GLAXO GROUP LIMITED (GB) 2004-09-09 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 (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-20040176400-A1 Fused pyrimidines as antagonists of the corticotropin releasing factor (crf) CRH, CRHR1, CRHR2 SMO 4180/4885MAPT 3273/4885KDM4E 4106/4885

“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.