SCHEMBL20358624

SCHEMBL20358624

CC(C)(C)c1ccc(C(=O)Nc2ccc(-c3ccnc4[nH]nc(N[C@H]5CC[C@H](O)CC5)c34)cc2F)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ TRPV1 Q8NER1 2/20 0.40
▸ BTK Q06187 7/20 0.38
▸ ABCB1 P08183 3/20 0.37
▸ FLT3 P36888 2/20 0.36
▸ KIT P10721 2/20 0.36
▸ SRC P12931 1/20 0.36
▸ ITK Q08881 1/20 0.36
▸ TYRO3 Q06418 1/20 0.36
▸ MERTK Q12866 1/20 0.36
▸ GAS6 Q14393 1/20 0.36
▸ MAPK14 Q16539 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ NR1H4 Q96RI1 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ PDGFRA P16234 1/20 0.35
▸ KDR P35968 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
SCHEMBL20358621 1.00 GSK3A (0.42) GSK3AGSK3BTRPV1BTKABCB1
SCHEMBL20359376 0.89 PRKCI (0.42) GSK3AGSK3BTRPV1BTKABCB1
SCHEMBL20359372 0.89 PRKCI (0.42) GSK3AGSK3BTRPV1BTKABCB1
SCHEMBL20359032 0.87 BTK (0.50) BTKNR1H4
SCHEMBL20359033 0.87 BTK (0.50) BTKNR1H4
SCHEMBL20359076 0.85 BTK (0.49) TRPV1BTKSRCNR1H4KDR
SCHEMBL20359078 0.85 BTK (0.49) TRPV1BTKSRCNR1H4KDR
SCHEMBL20359145 0.85 BTK (0.43) BTKITK
SCHEMBL20358786 0.82 BTK (0.46) TRPV1BTKPPARGNR1H4
SCHEMBL20358788 0.82 BTK (0.46) TRPV1BTKPPARGNR1H4

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 GSK3A 666/4885GSK3B 422/4885TRPV1 2210/4885

“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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