SCHEMBL5826567

SCHEMBL5826567

Cc1cc(C)c(-c2cnn3c(Cl)c(CCCl)c(C)nc23)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.37
TP53 P04637 4/20 0.37
DPP4 P27487 2/20 0.36
KDM4E B2RXH2 7/20 0.35
MEN1 O00255 6/20 0.35
KMT2A Q03164 6/20 0.35
L3MBTL1 Q9Y468 4/20 0.35
CRHR1 P34998 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RAB9A P51151 6/20 0.34
ALDH1A1 P00352 6/20 0.34
NPC1 O15118 5/20 0.34
HPGD P15428 4/20 0.34
MAPK1 P28482 3/20 0.34
GAA P10253 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL5826398 0.79 NPY1R (0.45) MAPTTP53KDM4EMEN1KMT2A
SCHEMBL9215707 0.78 DPP4 (0.34) MAPTTP53DPP4KDM4EMEN1
SCHEMBL9213889 0.76 GSK3B (0.36) MAPTDPP4KDM4EMEN1KMT2A
SCHEMBL5826648 0.75 NPY1R (0.35) MAPTKDM4EL3MBTL1TDP1
SCHEMBL9205154 0.73 KDM5A (0.54) KDM4EKMT2AALDH1A1HPGDMAPK1
SCHEMBL5826657 0.73 HSP90AA1 (0.34)
SCHEMBL5827369 0.72 CRHR1 (0.45) MAPTCRHR1
SCHEMBL5786298 0.72 MAPT (0.61) MAPTTP53KDM4EMEN1KMT2A
SCHEMBL8207281 0.72 KDM4E (0.55) MAPTTP53DPP4KDM4EL3MBTL1
SCHEMBL8185805 0.70 POLB (0.40) MAPTKDM4EMEN1KMT2AL3MBTL1

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-6995163-B2 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it EISAI CO., LTD. (JP) 2006-02-07 US disclosed
US-6951865-B2 Fused heterotricyclic compounds, process for preparing the compounds and drugs containing the same EISAI CO., LTD. (JP) 2005-10-04 US disclosed
US-6927221-B2 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it EISAI CO., LTD. (JP) 2005-08-09 US disclosed
EP-1408040-B1 Tricyclic fused heterocyclic compounds as CRFantagonists EISAI CO LTD (JP) 2005-07-27 EP disclosed
US-20050004147-A1 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it EISAI CO., LTD. 2005-01-06 US disclosed
US-20050004159-A1 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it EISAI CO., LTD. 2005-01-06 US disclosed
EP-1408040-A1 Tricyclic fused heterocyclic compounds as CRFantagonists Eisai Co., Ltd. (JP) 2004-04-14 EP disclosed
US-20030078277-A1 Fused heterotricyclic compounds, process for preparing the compounds and drugs containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-04-24 US disclosed
EP-1238979-A1 FUSED HETEROTRICYCLIC COMPOUNDS, PROCESS FOR PREPARING THE COMPOUNDS AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-09-11 EP 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 (3 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-20030078277-A1 Fused heterotricyclic compounds, process for preparing the compounds and drugs containing the same NR3C2, CRHR1, CRHR2 MAPT 4495/4885TP53 4820/4885DPP4 3296/4885
US-20050004159-A1 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it CRHR2, CRHR1, NR3C2 MAPT 4525/4885TP53 3734/4885DPP4 3037/4885
US-20050004147-A1 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it CRHR2, CRHR1, NR3C2 MAPT 4525/4885TP53 3734/4885DPP4 3037/4885

“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.