SCHEMBL1960110

SCHEMBL1960110

CC(=O)c1nn(-c2ccccc2)cc1Sc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.50
FAAH O00519 2/20 0.48
CHEK1 O14757 1/20 0.45
EGFR P00533 1/20 0.45
KDR P35968 1/20 0.45
KDM4E B2RXH2 2/20 0.43
DRD2 P14416 1/20 0.43
KCNH2 Q12809 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
RHEB Q15382 1/20 0.43
HTT P42858 1/20 0.43
GAA P10253 2/20 0.42
ALDH1A1 P00352 2/20 0.42
AURKA O14965 3/20 0.42
TP53 P04637 3/20 0.42
MAPT P10636 3/20 0.42
PTGES O14684 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL8004665 0.82 FAAH (0.48) MAPK1FAAHKDM4EDRD2KCNH2
SCHEMBL1535178 0.81 FAAH (0.59) FAAHKDM4EDRD2KCNH2MEN1
SCHEMBL11277492 0.80 FAAH (0.53) MAPK1FAAHKDM4EDRD2KCNH2
SCHEMBL1963861 0.79 FAAH (0.52) MAPK1FAAHKDM4EDRD2KCNH2
SCHEMBL11074786 0.77 KDM4E (0.52) CHEK1EGFRKDRKDM4EDRD2
SCHEMBL1962085 0.76 MEN1 (0.61) FAAHKDM4EDRD2KCNH2MEN1
SCHEMBL15016239 0.75 FAAH (0.52) MAPK1FAAHKDM4EDRD2KCNH2
SCHEMBL1535304 0.74 FAAH (0.56) FAAHKDM4EDRD2KCNH2MEN1
SCHEMBL15016213 0.74 FAAH (0.48) MAPK1FAAHKDM4EDRD2KCNH2
SCHEMBL1960741 0.74 FAAH (0.56) MAPK1FAAHKDM4EDRD2KCNH2

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
EP-2299824-B1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME (US) 2013-06-19 EP disclosed
EP-2299824-B1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME (US) 2013-06-19 EP disclosed
US-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-06-16 US disclosed
US-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-06-16 US disclosed
US-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-06-16 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-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, HRH2 MAPK1 2594/4885FAAH 1/4885CHEK1 3641/4885

“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.