SCHEMBL5844045

SCHEMBL5844045

Cc1cc(C)c(NCc2nc(C)nc(Cl)c2C)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.38
CRHR1 P34998 6/20 0.36
RAPGEF4 Q8WZA2 6/20 0.34
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL5843498 0.76 HTR1D (0.36) CRHR1ALDH1A1MAPT
SCHEMBL5843261 0.72 RAPGEF4 (0.47) CRHR1RAPGEF4
SCHEMBL8806694 0.66 CRHR1 (0.35) CRHR1RAPGEF4ALDH1A1MAPT
SCHEMBL19773336 0.64 PDK2 (0.37) ALDH1A1
SCHEMBL5846001 0.64 RAPGEF4 (0.48) CRHR1RAPGEF4GAAALDH1A1MAPT
SCHEMBL7339711 0.64 HTT (0.55) RAPGEF4GAAALDH1A1MAPT
SCHEMBL10065480 0.64 RAPGEF4 (0.43) CRHR1RAPGEF4GAA
SCHEMBL2756366 0.62 RAPGEF4 (0.57) RAPGEF4GAAALDH1A1MAPT
SCHEMBL27486039 0.62
SCHEMBL5845283 0.62 CRHR1 (0.48) CRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7125880-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2006-10-24 US disclosed
US-7067664-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2006-06-27 US disclosed
US-6956047-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-10-18 US disclosed
US-20050032846-A1 Corticotropin releasing factor antagonists PFIZER INC. 2005-02-10 US disclosed
US-6844351-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-01-18 US disclosed
EP-0764166-B1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS PFIZER (US) 2000-09-13 EP disclosed
US-5962479-A Corticotropin releasing factor antagonists PFIZER INC. (US) 1999-10-05 US disclosed
EP-0764166-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS PFIZER INC. (US) 1997-03-26 EP disclosed
WO-1995033750-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS PFIZER INC. (US) 1995-12-14 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 (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-20050032846-A1 Corticotropin releasing factor antagonists CRH, CRHR2, CRHR1 DHFR 4434/4885CRHR1 3/4885RAPGEF4 774/4885

“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.