SCHEMBL5087438

SCHEMBL5087438

CCc1nn(-c2ccccc2OC)c(Nc2ccc(C)cc2C(=O)O)c1-c1nc(OC)cs1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 16/20 0.46
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
DHODH Q02127 2/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 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
SCHEMBL5089402 0.94 ADORA1 (0.39) ADORA1ADORA3TSHRMAPTHTT
SCHEMBL5091935 0.92 ADORA1 (0.53) ADORA1ADORA3ADORA2AADORA2BMEN1
SCHEMBL5096737 0.92 ADORA1 (0.47) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL14288899 0.92 ADORA1 (0.43) ADORA1ADORA3TSHRKDM4ELMNA
SCHEMBL5089469 0.91 ADORA1 (0.49) ADORA1ADORA2BTSHRKDM4EKMT2A
SCHEMBL5089510 0.90 ADORA1 (0.55) ADORA1ADORA3ADORA2AADORA2BDHODH
SCHEMBL5090419 0.87 ADORA1 (0.48) ADORA1ADORA3ADORA2AADORA2BDHODH
SCHEMBL5087436 0.86 ADORA1 (0.55) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL5090443 0.86 ADORA1 (0.62) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL5089522 0.86 ADORA1 (0.46) ADORA1ADORA3ADORA2AADORA2BDHODH

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-20080009531-A1 5-Anilino-4-Heteroarylpyrazole Derivatives Useful for the Treatment of Diabetes BAYER PHARMACEUTICALS CORPORATION (US) 2008-01-10 US claimed
US-20080009531-A1 5-Anilino-4-Heteroarylpyrazole Derivatives Useful for the Treatment of Diabetes BAYER PHARMACEUTICALS CORPORATION (US) 2008-01-10 US disclosed
US-20080009531-A1 5-Anilino-4-Heteroarylpyrazole Derivatives Useful for the Treatment of Diabetes BAYER PHARMACEUTICALS CORPORATION (US) 2008-01-10 US disclosed
US-20080009531-A1 5-Anilino-4-Heteroarylpyrazole Derivatives Useful for the Treatment of Diabetes BAYER PHARMACEUTICALS CORPORATION (US) 2008-01-10 US disclosed
EP-1750698-A2 5-ANILINO-4-HETEROARYLPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES Bayer Pharmaceuticals Corporation (US) 2007-02-14 EP disclosed
WO-2005112923-A2 5-ANILINO-4-HETEROARYLPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORPORATION (US) 2005-12-01 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-20080009531-A1 5-Anilino-4-Heteroarylpyrazole Derivatives Useful for the Treatment of Diabetes GPR119, IAPP, GLP1R ADORA1 680/4885ADORA3 187/4885ADORA2A 631/4885

“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.