SCHEMBL4931257

SCHEMBL4931257

Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)ncc1OS(=O)(=O)CCl

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.56
▸ KCNH2 Q12809 1/20 0.56
▸ PDE5A O76074 10/20 0.53
▸ BUB1 O43683 4/20 0.47
▸ GUCY1A1 Q02108 4/20 0.46
▸ GUCY1B1 Q02153 4/20 0.46

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
SCHEMBL14282081 0.92 ADORA3 (0.59) ADORA3KCNH2PDE5ABUB1GUCY1A1
SCHEMBL14282089 0.90 ADORA3 (0.57) ADORA3KCNH2PDE5ABUB1GUCY1A1
SCHEMBL14282080 0.90 ADORA3 (0.60) ADORA3KCNH2PDE5ABUB1GUCY1A1
SCHEMBL14282088 0.89 ADORA3 (0.55) ADORA3KCNH2PDE5ABUB1GUCY1A1
SCHEMBL14282090 0.88 ADORA3 (0.56) ADORA3KCNH2PDE5ABUB1GUCY1A1
SCHEMBL14282086 0.88 ADORA3 (0.54) ADORA3KCNH2PDE5ABUB1GUCY1A1
SCHEMBL14282083 0.87 ADORA3 (0.57) ADORA3KCNH2PDE5ABUB1GUCY1A1
SCHEMBL14282085 0.87 PDE5A (0.52) ADORA3KCNH2PDE5ABUB1GUCY1A1
SCHEMBL14282082 0.87 ADORA3 (0.55) ADORA3KCNH2PDE5ABUB1GUCY1A1
SCHEMBL4939648 0.87 ADORA3 (0.64) ADORA3KCNH2PDE5ABUB1GUCY1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7317016-B2 Methods of treating medical conditions using sulfonate-substituted pyrazolopyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2008-01-08 — — US disclosed
US-7317016-B2 Methods of treating medical conditions using sulfonate-substituted pyrazolopyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2008-01-08 — — US disclosed
US-7317016-B2 Methods of treating medical conditions using sulfonate-substituted pyrazolopyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2008-01-08 — — US disclosed
US-20050245553-A1 Methods of treating medical conditions using sulfonate-substituted pyrazolopyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2005-11-03 — — US disclosed
US-6919345-B2 Sulfonate substituted pyrazol pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2005-07-19 — — US disclosed
US-20040171832-A1 Novel sulfonate substituted pyrazol pyridine derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-09-02 — — 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-20050245553-A1 Methods of treating medical conditions using sulfonate-substituted pyrazolopyridine derivatives PTGER3, TBXA2R, STS ADORA3 444/4885KCNH2 346/4885PDE5A 1429/4885
US-20040171832-A1 Novel sulfonate substituted pyrazol pyridine derivatives NOS3, PDE3A, GPR3 ADORA3 112/4885KCNH2 605/4885PDE5A 12/4885

“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.

Send feedback