SCHEMBL20358654

SCHEMBL20358654

CC(C)(C)c1ccc(C(=O)NC2(c3ccc(-c4ccnc5[nH]nc(NC6CCC(O)CC6)c45)cc3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 6/20 0.46
▸ MAPK8 P45983 8/20 0.44
▸ MAST3 O60307 2/20 0.42
▸ PDE2A O00408 3/20 0.40
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.35
▸ KIT P10721 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ KDR P35968 1/20 0.33

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
SCHEMBL20358655 1.00 BTK (0.46) BTKMAPK8MAST3PDE2AGSK3A
SCHEMBL20358616 0.84 EPHX2 (0.46) BTKKIT
SCHEMBL20358617 0.84 EPHX2 (0.46) BTKKIT
SCHEMBL20358624 0.80 GSK3A (0.42) BTKGSK3AGSK3BTRPV1KIT
SCHEMBL20358621 0.80 GSK3A (0.42) BTKGSK3AGSK3BTRPV1KIT
SCHEMBL20359078 0.80 BTK (0.49) BTKTRPV1KDR
SCHEMBL20359076 0.80 BTK (0.49) BTKTRPV1KDR
SCHEMBL20359033 0.78 BTK (0.50) BTK
SCHEMBL20359032 0.78 BTK (0.50) BTK
SCHEMBL20358786 0.76 BTK (0.46) BTKTRPV1

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 4 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 claimed
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
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 BTK 1/4885MAPK8 728/4885MAST3 674/4885

“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.

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