SCHEMBL5826733

SCHEMBL5826733

Cc1cc(C)c(-c2cccc(N)c2C)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.50
TSHR P16473 1/20 0.50
PIK3CA P42336 1/20 0.50
ALDH1A1 P00352 4/20 0.42
CD44 P16070 1/20 0.40
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DPP4 P27487 1/20 0.39
ADORA2A P29274 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
KDM1A O60341 1/20 0.37
RAPGEF4 Q8WZA2 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
CRHR1 P34998 1/20 0.36
PDK2 Q15119 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MYC P01106 1/20 0.35

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
SCHEMBL6637111 0.83 ALDH1A1 (0.50) CYP3A4ALDH1A1CD44SMN1; SMN2KDM4E
SCHEMBL9509317 0.81 RAPGEF4 (0.47) RAPGEF4CRHR1PDK2MYC
SCHEMBL16219593 0.81 RAPGEF4 (0.40) CYP3A4TSHRALDH1A1CD44HPGD
SCHEMBL31607703 0.81 CYP3A4 (0.56) CYP3A4TSHRPIK3CAALDH1A1CD44
SCHEMBL30839808 0.81 CYP3A4 (0.56) CYP3A4TSHRPIK3CAALDH1A1CD44
SCHEMBL3786474 0.81 CYP3A4 (0.56) CYP3A4TSHRPIK3CAALDH1A1CD44
SCHEMBL30839749 0.78 CYP3A4 (0.72) CYP3A4TSHRPIK3CAALDH1A1CD44
SCHEMBL2206282 0.78 CYP3A4 (0.72) CYP3A4TSHRPIK3CAALDH1A1CD44
SCHEMBL22675646 0.74 CYP3A4 (0.59) CYP3A4TSHRPIK3CAALDH1A1CD44
SCHEMBL22855607 0.73 HKDC1 (0.36) CYP3A4TSHRALDH1A1CD44HPGD

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 10 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
EP-1238979-B1 FUSED HETEROTRICYCLIC COMPOUNDS, PROCESS FOR PREPARING THE COMPOUNDS AND DRUGS CONTAINING THE SAME EISAI CO LTD (JP) 2005-03-02 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 CYP3A4 1089/4885TSHR 140/4885PIK3CA 2828/4885
US-20050004159-A1 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it CRHR2, CRHR1, NR3C2 CYP3A4 1808/4885TSHR 47/4885PIK3CA 3801/4885
US-20050004147-A1 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it CRHR2, CRHR1, NR3C2 CYP3A4 1808/4885TSHR 47/4885PIK3CA 3801/4885

“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.