SCHEMBL20358564

SCHEMBL20358564

CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3ccnc4[nH]nc(NC5CCNC5)c34)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 4/20 0.46
▸ FLT3 P36888 1/20 0.46
▸ SYK P43405 2/20 0.43
▸ NR1H4 Q96RI1 1/20 0.41
▸ FYN P06241 1/20 0.41
▸ KCNK9 Q9NPC2 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40
▸ PRKCI P41743 3/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CHEK1 O14757 1/20 0.39
▸ BRAF P15056 1/20 0.38

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
SCHEMBL20359190 1.00 BTK (0.46) BTKFLT3SYKNR1H4FYN
SCHEMBL20359078 0.89 BTK (0.49) BTKSYKNR1H4KCNK9TRPV1
SCHEMBL20359076 0.89 BTK (0.49) BTKSYKNR1H4KCNK9TRPV1
SCHEMBL20359372 0.86 PRKCI (0.42) BTKFLT3TRPV1PRKCI
SCHEMBL20359376 0.86 PRKCI (0.42) BTKFLT3TRPV1PRKCI
SCHEMBL20359165 0.85 BTK (0.39) BTKSYKFYNPRKCICHEK1
SCHEMBL20360392 0.85 BTK (0.39) BTKSYKFYNPRKCICHEK1
SCHEMBL20359211 0.83 BTK (0.44) BTKSYK
SCHEMBL20359479 0.83 BTK (0.44) BTKSYK
SCHEMBL20359313 0.82 BTK (0.45) BTKFLT3TRPV1PRKCIRAB9A

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 2 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

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 1/4885FLT3 29/4885SYK 2/4885

“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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