SCHEMBL7010054

SCHEMBL7010054

Cc1cc(C)c(-c2c3nc(C)nc(O)c3n3ccccc23)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
MAPT P10636 4/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CRHR1 P34998 4/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
LMNA P02545 3/20 0.31
TP53 P04637 3/20 0.31
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
THRB P10828 1/20 0.30
LCK P06239 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
SCHEMBL7004989 0.86 GAA (0.33) MAPTHTTNPSR1RAPGEF4TDP1
SCHEMBL7006275 0.85 LMNA (0.35) CDK5CDK5R1MAPTHTTNPSR1
SCHEMBL7004385 0.77 MAPT (0.37) MAPTHTTNPSR1RAPGEF4TDP1
SCHEMBL7008469 0.76 CRHR1 (0.46) CRHR1
SCHEMBL7009295 0.75 CRHR1 (0.44) MAPTCRHR1TP53
SCHEMBL6094470 0.75 CRHR1 (0.33) CDK5CDK5R1CRHR1LMNA
SCHEMBL7009290 0.74 CRHR1 (0.39) NPSR1CRHR1THRB
SCHEMBL7009301 0.74 MAPT (0.40) MAPTHTTLMNATP53
SCHEMBL6093564 0.73 CDK5 (0.32) CDK5CDK5R1MAPTLMNATP53
SCHEMBL7006813 0.72 CRHR1 (0.53) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1323709-A1 UREA DERIVATIVE AND ADHESIVE-MOLECULE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2003-07-02 EP disclosed
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 CDK5 589/4885CDK5R1 250/4885MAPT 4631/4885

“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.