SCHEMBL20358494

SCHEMBL20358494

C=CC(=O)N1CC[C@@H](Nc2n[nH]c3nccc(-c4ccc(CNC(=O)c5ccc6c(c5)OCCCO6)c(F)c4)c23)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 9/20 0.43
▸ BMX P51813 2/20 0.43
▸ NPC1 O15118 1/20 0.40
▸ EGFR P00533 1/20 0.39
▸ PTK2 Q05397 1/20 0.39
▸ ITK Q08881 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ JAK3 P52333 5/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ ROCK2 O75116 1/20 0.36
▸ CCNK O75909 1/20 0.36
▸ CDK12 Q9NYV4 1/20 0.36

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
SCHEMBL20358497 1.00 BTK (0.43) BTKBMXNPC1EGFRPTK2
SCHEMBL20359158 0.97 BTK (0.44) BTKBMXNPC1EGFRPTK2
SCHEMBL20360639 0.97 BTK (0.44) BTKBMXNPC1EGFRPTK2
SCHEMBL20359928 0.88 BTK (0.48) BTKEGFRITKKCNH2JAK3
SCHEMBL20358996 0.88 BTK (0.48) BTKEGFRITKKCNH2JAK3
SCHEMBL20359862 0.88 BTK (0.49) BTKEGFRITKKCNH2JAK3
SCHEMBL20358822 0.88 BTK (0.49) BTKEGFRITKKCNH2JAK3
SCHEMBL20358817 0.87 BTK (0.47) BTKEGFRITKKCNH2JAK3
SCHEMBL20359537 0.87 BTK (0.47) BTKEGFRITKKCNH2JAK3
SCHEMBL20358680 0.87 BTK (0.49) BTKITKKCNH2JAK3

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 3 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 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 1/4885BMX 11/4885NPC1 4775/4885

“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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