SCHEMBL3398932

SCHEMBL3398932

Cc1ccc(-c2nc(C)c(C(=O)N3CCN(C(C)C)CC3)s2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.47
CNR1 P21554 1/20 0.43
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
CES2 O00748 1/20 0.39
PARP1 P09874 2/20 0.39
S1PR1 P21453 2/20 0.38
S1PR3 Q99500 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
GAA P10253 1/20 0.37
CDK6 Q00534 1/20 0.37
DYRK2 Q92630 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36

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
SCHEMBL3404343 0.94 HTR2C (0.47) HTR2CCNR1CES2PARP1THRA
SCHEMBL3405067 0.92 HTR2C (0.47) HTR2CCNR1CES2PARP1THRA
SCHEMBL3396826 0.90 HTR2C (0.46) HTR2CCNR1PDE4APDE4BPDE4C
SCHEMBL3400042 0.88 HTR2C (0.58) HTR2CCNR1CES2PARP1
SCHEMBL3402068 0.87 HTR2C (0.47) HTR2CCNR1CES2PARP1THRA
SCHEMBL3405332 0.87 HTR2C (0.49) HTR2CCNR1CES2PARP1THRA
SCHEMBL3406038 0.85 HTR2C (0.47) HTR2CCNR1CES2PARP1THRA
SCHEMBL3402439 0.83 HTR2C (0.46) HTR2CCNR1CES2PARP1
SCHEMBL3403332 0.83 HTR2C (0.55) HTR2CCNR1CES2PARP1
SCHEMBL3407762 0.83 HTR2C (0.47) HTR2CCNR1CES2PARP1THRA

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
US-20100297035-A1 Thiazole Amides, Imidazole Amides and Related Analogues LIGAND PHARMACEUTICALS, INC. (US) 2010-11-25 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
WO-2006089076-A9 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORP (US) 2007-04-26 WO 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-20100297035-A1 Thiazole Amides, Imidazole Amides and Related Analogues HRH3, HRH4, HRH2 HTR2C 416/4885CNR1 35/4885PDE4A 2138/4885

“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.