SCHEMBL17229308

SCHEMBL17229308

Cc1ccc(F)c(CC(C)C)c1F

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CXCR5 P32302 1/20 0.32
HTR2A P28223 1/20 0.31
ACHE P22303 1/20 0.30

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
SCHEMBL14983724 0.85 GABRA1 (0.32)
SCHEMBL16939399 0.80 P2RX7 (0.38) HTR2A
SCHEMBL23434803 0.78 KDM4E (0.35)
SCHEMBL17229297 0.77 S1PR1 (0.36)
SCHEMBL12960402 0.77 GABRA1 (0.33)
SCHEMBL17229271 0.76 KDM5A (0.37)
SCHEMBL12886698 0.76 ACHE (0.33) ACHE
SCHEMBL20223451 0.75 CXCR5 (0.32) CXCR5
SCHEMBL13173810 0.75 CXCR5 (0.32) CXCR5
SCHEMBL172240 0.75 ACHE (0.44) CXCR5HTR2AACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796733-B2 Imidazo-pyrazine derivatives useful as soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2017-10-24 US disclosed
US-9695166-B2 Pyrazolopyridine pyrazolopyrimidine and related compounds GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-07-04 US disclosed
US-20170107236-A1 IMIDAZO-PYRAZINE DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2017-04-20 US disclosed
US-20150315198-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-11-05 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 (2 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-20170107236-A1 IMIDAZO-PYRAZINE DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS PDE2A, PDE3A, PDE5A CXCR5 963/4885HTR2A 1361/4885ACHE 2425/4885
US-20150315198-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS TPMT, DPYD, XDH CXCR5 2448/4885HTR2A 3450/4885ACHE 1376/4885

“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.