SCHEMBL20359609

SCHEMBL20359609

CC(C)(C#N)c1cc(C(=O)O)no1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
RAPGEF3 O95398 4/20 0.38
PTPN1 P18031 2/20 0.37
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.36
MAPK1 P28482 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
SCHEMBL4209318 0.82 TP53 (0.42) RAPGEF3MAPTMAPK1
SCHEMBL1809204 0.80 ALDH1A1 (0.50) ALDH1A1RAPGEF3HPGDMAPK1
SCHEMBL1807534 0.78 ALDH1A1 (0.43) ALDH1A1PTPN1MAPTHPGDRECQL
Hydrochloric Acid SCHEMBL9315107 0.78 ALDH1A1 (0.49) ALDH1A1RAPGEF3HPGDMAPK1
SCHEMBL24710097 0.77 ALDH1A1 (0.42) ALDH1A1RAPGEF3PTPN1MAPTHPGD
SCHEMBL20320525 0.74 HCAR2 (0.34) ALDH1A1
SCHEMBL16245722 0.73 MBOAT4 (0.30)
SCHEMBL10044258 0.72 HCRTR1 (0.39) ALDH1A1RAPGEF3PTPN1MAPTHPGD
SCHEMBL6371376 0.72 ALDH1A1 (0.44) ALDH1A1RAPGEF3PTPN1MAPTHPGD
SCHEMBL19228450 0.71 ALDH1A1 (0.49) ALDH1A1PTPN1MAPTHPGDRECQL

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-20180194762-A1 PYRAZOLO[3,4-b]PYRIDINE AND PYRROLO[2,3-b]PYRIDINE INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2018-07-12 US disclosed
US-20180194762-A1 PYRAZOLO[3,4-b]PYRIDINE AND PYRROLO[2,3-b]PYRIDINE INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2018-07-12 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-20180194762-A1 PYRAZOLO[3,4-b]PYRIDINE AND PYRROLO[2,3-b]PYRIDINE INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LCK ALDH1A1 4650/4885RAPGEF3 849/4885PTPN1 41/4885

“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.