SCHEMBL7004989

SCHEMBL7004989

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.33
ALDH1A1 P00352 5/20 0.33
GLA P06280 4/20 0.33
HPGD P15428 4/20 0.33
PTPN1 P18031 3/20 0.33
MAPK1 P28482 1/20 0.33
LCK P06239 2/20 0.32
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
HTT P42858 2/20 0.32
RAPGEF4 Q8WZA2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 5/20 0.32
POLB P06746 2/20 0.32
RAB9A P51151 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 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
SCHEMBL7010054 0.86 CDK5 (0.33) PTPN1LCKMAPTNPSR1HTT
SCHEMBL7004385 0.83 MAPT (0.37) GAAALDH1A1GLAHPGDPTPN1
SCHEMBL7006275 0.78 LMNA (0.35) GAAALDH1A1GLAPTPN1MAPT
SCHEMBL7008469 0.77 CRHR1 (0.46) ALDH1A1HPGDKDM4ECRHR1HSD17B10
SCHEMBL7009295 0.76 CRHR1 (0.44) ALDH1A1HPGDMAPK1MAPTCRHR1
SCHEMBL7009301 0.75 MAPT (0.40) ALDH1A1MAPTHTTKDM4ERAB9A
SCHEMBL7009290 0.75 CRHR1 (0.39) ALDH1A1NPSR1RAB9AMEN1KMT2A
SCHEMBL6092967 0.74 PTPN1 (0.35) GAAALDH1A1GLAHPGDPTPN1
SCHEMBL7005620 0.73 NCF1 (0.46) GAAALDH1A1HPGDMAPK1MAPT
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 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 GAA 4647/4885ALDH1A1 3033/4885GLA 4196/4885

“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.