SCHEMBL7012544

SCHEMBL7012544

Cc1cc(C)c(-c2c3nc(C)cc(Cl)c3n3ccncc23)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.34
CRHR1 P34998 2/20 0.34
RAPGEF4 Q8WZA2 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
LCK P06239 1/20 0.31
BRAF P15056 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRA5 P31644 1/20 0.30

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
SCHEMBL7007266 0.85 MAPT (0.36) CRHR1RAPGEF4KDM4EGAAMAPT
SCHEMBL7004385 0.81 MAPT (0.37) CRHR1RAPGEF4KDM4EGAAMAPT
SCHEMBL7007793 0.79 CRHR1 (0.47) CRHR1
SCHEMBL7007327 0.77 CRHR1 (0.49) CRHR1
SCHEMBL7006275 0.66 LMNA (0.35) CRHR1RAPGEF4KDM4EGAAMAPT
SCHEMBL6092887 0.65 PTPN1 (0.37) CRHR1KDM4EGAAMAPTLCK
SCHEMBL7004989 0.64 GAA (0.33) CRHR1RAPGEF4KDM4EGAAMAPT
SCHEMBL7006813 0.61 CRHR1 (0.53) CRHR1
SCHEMBL17502194 0.60 LMNA (0.52) CRHR1KDM4EGAAMAPT
SCHEMBL5209663 0.60 MAPT (0.44) CRHR1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1086103-B1 PYRIDO 2,3-B]INDOLIZINE DERIVATIVES AND AZA ANALOGUES THEREOF; CRF 1 SPECIFIC LIGANDS NEUROGEN CORP (US) 2003-05-02 EP disclosed
US-6495686-B2 THERAPY FOR PSYCHOLOGICAL DISORDERS NEUROGEN CORPORATION 2002-12-17 US disclosed
US-20020019525-A1 Pyrido [2,3-b] indolizine derivatives and aza analogues thereof; CRF1 specific ligands NEUROGEN 2002-02-14 US disclosed
US-6194574-B1 SELECTIVELY BIND TO CORTICOTROPIN-RELEASING FACTOR (CRF1) RECEPTORS; FOR TREATING STRESS RELATED DISORDERS SUCH AS POST TRAUMATIC STRESS DISORDER (PTSD) AS WELL AS DEPRESSION, HEADACHE AND ANXIETY NEUROGEN CORPORATION 2001-02-27 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-20020019525-A1 Pyrido [2,3-b] indolizine derivatives and aza analogues thereof; CRF1 specific ligands CRHR1, HTR1D, HTR5A CYP19A1 765/4885CRHR1 1/4885RAPGEF4 1512/4885

“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.