SCHEMBL2497003

SCHEMBL2497003

CCCC(CCC)c1cc(C)nc2c(-c3sc(N(C)C)nc3Cl)c(C)nn12

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 19/20 0.39
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 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
SCHEMBL2932988 0.92 CRHR1 (0.38) CRHR1KDM4EALDH1A1HPGD
SCHEMBL2502636 0.89 CRHR1 (0.39) CRHR1KDM4EHPGD
SCHEMBL2930712 0.83 CRHR1 (0.39) CRHR1KDM4EHPGD
SCHEMBL12409295 0.80 CRHR1 (0.40) CRHR1KDM4EALDH1A1HPGD
SCHEMBL15103887 0.80 CRHR1 (0.39) CRHR1KDM4EALDH1A1HPGD
SCHEMBL22335453 0.80 HPGD (0.34) CRHR1KDM4EALDH1A1HPGD
SCHEMBL2180543 0.80 CRHR1 (0.54) CRHR1KDM4EALDH1A1HPGD
SCHEMBL2178265 0.79 CRHR1 (0.39) CRHR1KDM4EALDH1A1HPGD
SCHEMBL15103992 0.79 CRHR1 (0.40) CRHR1KDM4EALDH1A1HPGD
SCHEMBL2497127 0.78 CRHR1 (0.38) CRHR1KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1159336-B2 INTRINSICALLY GEL-FREE, RANDOMLY BRANCHED POLYAMIDE DSM IP ASSETS BV (NL) 2010-09-15 EP claimed
EP-1159336-B1 INTRINSICALLY GEL-FREE, RANDOMLY BRANCHED POLYAMIDE DSM NV (NL) 2002-09-25 EP claimed
US-8030304-B2 Thiazole pyrazolopyrimidines CRF1 receptor antagonists ELI LILLY AND COMPANY (US) 2011-10-04 US disclosed
EP-2094709-B1 THIAZOLE PYRAZOLOPYRIMIDINES AS CRF1 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2010-09-15 EP disclosed
US-20100222339-A1 Thiazole pyrazolopyrimidines CRF1 receptor antagonists ELI LILLY AND COMPANY 2010-09-02 US disclosed
CN-1406233-A Medicine for viral diseases BAYER AG (DE) 2003-03-26 CN disclosed
EP-1286974-A2 MEDICAMENT FOR VIRAL DISEASES Bayer Aktiengesellschaft (DE) 2003-03-05 EP disclosed
WO-2002020509-A2 MEDICAMENTS AGAINST VIRAL INFECTIONS BAYER AKTIENGESELLSCHAFT (DE) 2002-03-14 WO disclosed
WO-2001064755-A2 ISOXAZOLE GEGEN VIRALE ERKRANKUNGEN BAYER AKTIENGESELLSCHAFT (DE) 2001-09-07 WO disclosed
EP-0563731-B1 Medicaments containing polyhydroxymethylene-derivatives, process for their manufacture and use thereof HOECHST AG (DE) 1995-11-15 EP disclosed
CN-1027169-C Process for preparing epipodophyllotoxin glucoside 4' -phosphate derivatives BRISTOL MYERS SQUIBB CO (US) 1994-12-28 CN disclosed
CN-1024317-C Antifungal agents based on amides containing phenyl group RHONE POULENC AGROCHIMIE (FR) 1994-04-27 CN disclosed
EP-0563731-A1 Medicaments containing polyhydroxymethylene-derivatives, process for their manufacture and use thereof HOECHST AKTIENGESELLSCHAFT (DE) 1993-10-06 EP disclosed
CN-1017049-B PROCESS FOR PREPARING 5,6-DIHYDRO-2-(SUBSTITUTED PHENYL) 1,2,4 TRIAZINE-3,5(2H,4H)-DIONES JANSSEN PHARMACEUTICA NV (BE) 1992-06-17 CN disclosed
CN-1040792-A ANTIFUNGAL AGENTS BASED ON AMIDES CONTAINING PHENYL GROUP RHONE POULENC AGROCHIMIE (FR) 1990-03-28 CN disclosed
CN-1036957-A It is antiviral with imidazolidine [1,4] benzodiazepine-2-ketone compounds also, JANSSEN PHARMACEUTICA NV (BE) 1989-11-08 CN disclosed
CN-87100531-A 5,6-dihydro-2-(phenyl of replacement)-1,2,4-triazine-3,5 (2H, 4H)-two ketone 1987-09-02 CN 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-20100222339-A1 Thiazole pyrazolopyrimidines CRF1 receptor antagonists CRHR1, CRH, CRHR2 CRHR1 1/4885KDM4E 4562/4885ALDH1A1 1482/4885

“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.