SCHEMBL13647366

SCHEMBL13647366

CC(C)Cc1cc(F)cc(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 8/20 0.41
DPP4 P27487 3/20 0.35
FAP Q12884 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
CES2 O00748 2/20 0.34
CES1 P23141 2/20 0.34
HPGD P15428 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
SCHEMBL3458357 0.83 RIPK1 (0.42) RIPK1DPP4FAPDPP8DPP9
SCHEMBL28026250 0.83 RIPK1 (0.42) RIPK1DPP4FAPDPP8DPP9
SCHEMBL438764 0.83 HTR2A (0.44) DPP4FAPDPP8DPP9DPP7
SCHEMBL439586 0.83 RIPK1 (0.39) RIPK1DPP4FAPDPP8DPP9
SCHEMBL806099 0.83 RIPK1 (0.39) RIPK1DPP4FAPDPP8DPP9
SCHEMBL455119 0.83 HTR2A (0.44) DPP4FAPDPP8DPP9DPP7
SCHEMBL10182854 0.82 RIPK1 (0.39) RIPK1DPP4FAPDPP8DPP9
SCHEMBL23434808 0.79 GABRA1 (0.45) RIPK1GABRA1GABRB2HPGD
SCHEMBL23434791 0.79 CDK2 (0.33) DPP4GABRA1GABRB2
SCHEMBL24780295 0.76 HTR2A (0.34) HPGD

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
EP-3458066-B1 FUSED PYRAZINE DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE STIMULATORS MERCK SHARP & DOHME LLC (US) 2023-05-03 EP disclosed
US-10780092-B2 Fused pyrazine derivatives useful as soluble guanylate cyclase stimulators MERCK SHARP & DOHME CORP. (US) 2020-09-22 US disclosed
US-20190307753-A1 FUSED PYRAZINE DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE STIMULATORS MERCK SHARP & DOHME CORP. (US) 2019-10-10 US disclosed
WO-2017200825-A1 FUSED PYRAZINE DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE STIMULATORS MERCK SHARP & DOHME CORP. (US) 2017-11-23 WO disclosed
WO-2017197555-A1 FUSED PYRAZINE DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE STIMULATORS MERCK SHARP & DOHME CORP. (US) 2017-11-23 WO disclosed
US-7601728-B2 Bicyclic pyrrole derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-10-13 US disclosed
US-20090192129-A1 BICYCLIC PYRROLE DERIVATIVES DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-07-30 US disclosed
US-20090149483-A1 BICYCLIC PYRROLE DERIVATIVES DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-06-11 US disclosed
US-20080318922-A1 Bicyclic Pyrrole Derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-12-25 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 (5 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-20190307753-A1 FUSED PYRAZINE DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE STIMULATORS PDE2A, PDE3A, PDE5A RIPK1 2919/4885DPP4 2726/4885FAP 1492/4885
US-20080318922-A1 Bicyclic Pyrrole Derivatives DPP4, DPP7, DPP3 RIPK1 3790/4885DPP4 1/4885FAP 221/4885
US-20090192129-A1 BICYCLIC PYRROLE DERIVATIVES DPP4, DPP7, DPP3 RIPK1 3223/4885DPP4 1/4885FAP 77/4885
US-10780092-B2 Fused pyrazine derivatives useful as soluble guanylate cyclase stimulators PDE2A, PDE3A, PDE5A RIPK1 2945/4885DPP4 2753/4885FAP 1449/4885
US-20090149483-A1 BICYCLIC PYRROLE DERIVATIVES DPP4, DPP7, DPP3 RIPK1 3223/4885DPP4 1/4885FAP 77/4885

“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.