SCHEMBL5096102

SCHEMBL5096102

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

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 14/20 0.45
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
ADORA3 P0DMS8 1/20 0.39
MARS1 P56192 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL5096111 0.92 ADORA1 (0.43) ADORA1KDM4EGAALMNATSHR
SCHEMBL14288899 0.92 ADORA1 (0.43) ADORA1KDM4EGAALMNATSHR
SCHEMBL5087436 0.92 ADORA1 (0.55) ADORA1ADORA3
SCHEMBL5090413 0.91 ADORA1 (0.53) ADORA1KDM4EGAAADORA3MARS1
SCHEMBL5096145 0.91 ADORA1 (0.55) ADORA1ADORA3
SCHEMBL5091046 0.87 ADORA1 (0.47) ADORA1KDM4EGAALMNATSHR
SCHEMBL5090428 0.86 ADORA1 (0.52) ADORA1ADORA3
SCHEMBL5090462 0.86 ADORA1 (0.50) ADORA1KDM4EGAAADORA3MARS1
SCHEMBL14288901 0.85 ADORA1 (0.42) ADORA1KDM4EGAALMNATSHR
SCHEMBL5087438 0.85 ADORA1 (0.46) ADORA1KDM4ELMNATSHRHTT

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 3 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 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

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 680/4885KDM4E 2741/4885GAA 317/4885

“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.