SCHEMBL20359376

SCHEMBL20359376

CC(C)(C)c1ccc(C(=O)Nc2ccc(-c3ccnc4[nH]nc(NC5CCNC5)c34)cc2F)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 8/20 0.42
▸ GSK3A P49840 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ TRPV1 Q8NER1 2/20 0.38
▸ ABCB1 P08183 2/20 0.36
▸ BCL9 O00512 3/20 0.36
▸ CTNNB1 P35222 3/20 0.36
▸ KLKB1 P03952 2/20 0.36
▸ BTK Q06187 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
SCHEMBL20359372 1.00 PRKCI (0.42) PRKCIGSK3AGSK3BFLT3TRPV1
SCHEMBL20358621 0.89 GSK3A (0.42) GSK3AGSK3BFLT3TRPV1ABCB1
SCHEMBL20358624 0.89 GSK3A (0.42) GSK3AGSK3BFLT3TRPV1ABCB1
SCHEMBL20358682 0.87 BTK (0.49) BTK
SCHEMBL20358465 0.87 BTK (0.49) BTK
SCHEMBL20358398 0.87 BTK (0.49) BTK
SCHEMBL20359190 0.86 BTK (0.46) PRKCIFLT3TRPV1BTK
SCHEMBL20358564 0.86 BTK (0.46) PRKCIFLT3TRPV1BTK
SCHEMBL20359145 0.83 BTK (0.43) BTK
SCHEMBL20358722 0.82 BTK (0.50) BTK

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 1 patent. 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

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 PRKCI 262/4885GSK3A 666/4885GSK3B 422/4885

“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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