SCHEMBL14288902

SCHEMBL14288902

CCc1ccc(Nc2c(-c3nc4c(s3)CCCC4)c(CC)nn2-c2ccccc2OC)c(C(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 13/20 0.41
ADORA3 P0DMS8 1/20 0.37
MAPT P10636 4/20 0.36
HTT P42858 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 3/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
PTBP1 P26599 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
C5AR1 P21730 1/20 0.34
TSHR P16473 1/20 0.34
TP53 P04637 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL5091963 0.89 ADORA1 (0.40) ADORA1ADORA3HTTALDH1A1POLB
SCHEMBL5091063 0.86 ADORA1 (0.45) ADORA1ADORA3
SCHEMBL5087459 0.85 ADORA1 (0.43) ADORA1ADORA3MAPTSMN1; SMN2MEN1
SCHEMBL5089522 0.79 ADORA1 (0.46) ADORA1ADORA3MAPTHTTLMNA
SCHEMBL5089456 0.78 ADORA1 (0.48) ADORA1ADORA3
SCHEMBL14288901 0.78 ADORA1 (0.42) ADORA1ADORA3HTTGAALMNA
SCHEMBL5089524 0.77 ADORA1 (0.53) ADORA1ADORA3
SCHEMBL5090447 0.77 ADORA1 (0.47) ADORA1ADORA3TP53MEN1KMT2A
SCHEMBL5090420 0.77 ADORA1 (0.50) ADORA1ADORA3KDM4E
SCHEMBL5096111 0.77 ADORA1 (0.43) ADORA1ADORA3HTTGAALMNA

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 2 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

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 187/4885MAPT 2983/4885

“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.