SCHEMBL20359313

SCHEMBL20359313

CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3ccnc4[nH]nc(N[C@@H]5CCNC5)c34)c2CO)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 13/20 0.45
▸ FLT3 P36888 1/20 0.39
▸ GSK3A P49840 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ PABPC1 P11940 1/20 0.37
▸ EIF4H Q15056 1/20 0.37
▸ CLK2 P49760 1/20 0.37
▸ DHPS P49366 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PRKCI P41743 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
SCHEMBL20358340 0.86 BTK (0.51) BTKPRKCI
SCHEMBL20359578 0.84 BTK (0.46) BTKCLK2
SCHEMBL20358564 0.82 BTK (0.46) BTKFLT3TRPV1RAB9ASMN1; SMN2
SCHEMBL20359190 0.82 BTK (0.46) BTKFLT3TRPV1RAB9ASMN1; SMN2
SCHEMBL20359376 0.81 PRKCI (0.42) BTKFLT3GSK3AGSK3BTRPV1
SCHEMBL20359372 0.81 PRKCI (0.42) BTKFLT3GSK3AGSK3BTRPV1
SCHEMBL20358788 0.79 BTK (0.46) BTKTRPV1
SCHEMBL20358786 0.79 BTK (0.46) BTKTRPV1
SCHEMBL20359259 0.78 MAPK1 (0.42) FLT3GSK3AGSK3BMEN1KMT2A
SCHEMBL20359257 0.78 MAPK1 (0.42) FLT3GSK3AGSK3BMEN1KMT2A

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 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

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 29/4885GSK3A 666/4885

“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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