SCHEMBL20358656

SCHEMBL20358656

N[C@@H]1CCN(c2n[nH]c3nccc(-c4ccc(NC(=O)c5nc6ccccc6o5)c(F)c4)c23)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 3/20 0.38
▸ NTRK1 P04629 2/20 0.38
▸ SRPK1 Q96SB4 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PIM2 Q9P1W9 8/20 0.36
▸ F10 P00742 2/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ PRKCA P17252 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ PRKCQ Q04759 1/20 0.35
▸ PIM1 P11309 4/20 0.34
▸ PIM3 Q86V86 4/20 0.34
▸ CCNT1 O60563 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ LCK P06239 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ FLT3 P36888 1/20 0.33

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
SCHEMBL20359012 0.88 BTK (0.41) LCK
SCHEMBL20365292 0.83 CHRNA7 (0.37) MEN1KMT2ASMN1; SMN2CHRNA7
SCHEMBL20359649 0.81 MAP4K1 (0.40) MAP4K1NTRK1PIM2F10IRAK4
SCHEMBL20358448 0.78 BTK (0.42) LCK
SCHEMBL20359198 0.77 BTK (0.40) LCK
SCHEMBL20358814 0.76 BTK (0.41) LCK
SCHEMBL20358435 0.72 BTK (0.48) LCK
SCHEMBL20359734 0.72 BTK (0.46) LCK
SCHEMBL20359504 0.72 BTK (0.41) MAP4K1NTRK1IRAK4
SCHEMBL20359602 0.72 BTK (0.58) LCK

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 1 patent. 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

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 MAP4K1 324/4885NTRK1 1737/4885SRPK1 740/4885

“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.

Send feedback