SCHEMBL21786012

SCHEMBL21786012

CC(C)C(CO)c1ccncc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 1/20 0.40
TAAR1 Q96RJ0 1/20 0.38
GAA P10253 1/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
CYP17A1 P05093 3/20 0.37
TRPA1 O75762 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
PTGS2 P35354 1/20 0.36
KCNA5 P22460 2/20 0.35
FYN P06241 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CYP19A1 P11511 2/20 0.34
CYP11B1 P15538 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
SCHEMBL12041551 0.80 SLC6A2 (0.41) CYP3A4CYP2C19TAAR1GAASLC6A2
SCHEMBL12391859 0.78 CYP3A4 (0.40) CYP3A4CYP2C19TAAR1GAASLC6A2
SCHEMBL29628918 0.78 CYP3A4 (0.38) CYP3A4CYP2C19SLC6A2SLC6A4SLC6A3
SCHEMBL759880 0.77 TAAR1 (0.61) CYP3A4CYP2C19TAAR1SLC6A2SLC6A4
SCHEMBL873143 0.77 TAAR1 (0.61) CYP3A4CYP2C19TAAR1SLC6A2SLC6A4
SCHEMBL9908239 0.77 TAAR1 (0.61) CYP3A4CYP2C19TAAR1SLC6A2SLC6A4
SCHEMBL7255778 0.77 CYP3A4 (0.43) CYP3A4CYP2C19GAASLC6A2SLC6A4
SCHEMBL7255781 0.77 CYP3A4 (0.43) CYP3A4CYP2C19GAASLC6A2SLC6A4
SCHEMBL14159083 0.77 CYP3A4 (0.39) CYP3A4CYP2C19TAAR1GAASLC6A2
SCHEMBL20784917 0.76 SMN1; SMN2 (0.47) GAASLC6A2SLC6A4SLC6A3CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3843850-B1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS AS INHIBITORS OF TAM AND MET KINASES ARRAY BIOPHARMA INC (US) 2023-11-15 EP disclosed
US-11780835-B2 Pyrazolo[3,4-b]pyridine compounds as inhibitors of TAM and MET kinases ARRAY BIOPHARMA INC. (US) 2023-10-10 US disclosed
US-11780835-B2 Pyrazolo[3,4-b]pyridine compounds as inhibitors of TAM and MET kinases ARRAY BIOPHARMA INC. (US) 2023-10-10 US disclosed
US-20230011441-A1 PYRAZOLO[3,4-b]PYRIDINE COMPOUNDS AS INHIBITORS OF TAM AND MET KINASES ARRAY BIOPHARMA INC. (US) 2023-01-12 US disclosed
WO-2020047184-A1 PYRAZOLO[3,4-b]PYRIDINE COMPOUNDS AS INHIBITORS OF TAM AND MET KINASES ARRAY BIOPHARMA INC. (US) 2020-03-05 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 (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-20230011441-A1 PYRAZOLO[3,4-b]PYRIDINE COMPOUNDS AS INHIBITORS OF TAM AND MET KINASES RET, MERTK, MET CYP3A4 814/4885CYP2C19 626/4885TAAR1 787/4885
US-11780835-B2 Pyrazolo[3,4-b]pyridine compounds as inhibitors of TAM and MET kinases RET, MERTK, MET CYP3A4 814/4885CYP2C19 626/4885TAAR1 787/4885

“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.