SCHEMBL20359076

SCHEMBL20359076

CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3ccnc4[nH]nc(NC5CCC(O)CC5)c34)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 6/20 0.49
▸ SYK P43405 2/20 0.46
▸ TRPV1 Q8NER1 1/20 0.43
▸ NR1H4 Q96RI1 1/20 0.42
▸ KCNK9 Q9NPC2 1/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ KDR P35968 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ SRC P12931 1/20 0.40
▸ BRAF P15056 1/20 0.39
▸ NAMPT P43490 1/20 0.39

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
SCHEMBL20359078 1.00 BTK (0.49) BTKSYKTRPV1NR1H4KCNK9
SCHEMBL20359190 0.89 BTK (0.46) BTKSYKTRPV1NR1H4KCNK9
SCHEMBL20358564 0.89 BTK (0.46) BTKSYKTRPV1NR1H4KCNK9
SCHEMBL20358624 0.85 GSK3A (0.42) BTKTRPV1NR1H4KDRSRC
SCHEMBL20358621 0.85 GSK3A (0.42) BTKTRPV1NR1H4KDRSRC
SCHEMBL20359211 0.84 BTK (0.44) BTKSYK
SCHEMBL20359479 0.84 BTK (0.44) BTKSYK
SCHEMBL20358788 0.84 BTK (0.46) BTKTRPV1NR1H4
SCHEMBL20358786 0.84 BTK (0.46) BTKTRPV1NR1H4
SCHEMBL20358616 0.81 EPHX2 (0.46) BTKNR1H4NAMPT

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 1/4885SYK 2/4885TRPV1 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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