SCHEMBL20359649

SCHEMBL20359649

CC(C)c1nc(C(=O)Nc2ccc(-c3ccnc4[nH]nc(N5CC[C@@H](N)C5)c34)cc2F)no1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 6/20 0.40
▸ NTRK1 P04629 5/20 0.40
▸ F10 P00742 2/20 0.35
▸ NEK7 Q8TDX7 4/20 0.35
▸ BTK Q06187 1/20 0.34
▸ FLT3 P36888 3/20 0.34
▸ PRKAA1 Q13131 3/20 0.34
▸ LCK P06239 2/20 0.34
▸ PDGFRB P09619 2/20 0.34
▸ PIM1 P11309 4/20 0.34
▸ PIM3 Q86V86 2/20 0.34
▸ PIM2 Q9P1W9 2/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ ABL1 P00519 1/20 0.34

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
SCHEMBL20358435 0.89 BTK (0.48) BTKLCK
SCHEMBL20358656 0.81 MAP4K1 (0.38) MAP4K1NTRK1F10FLT3PRKAA1
SCHEMBL20358443 0.79 BTK (0.48) BTKLCK
SCHEMBL20359734 0.79 BTK (0.46) BTKLCK
SCHEMBL20359134 0.79 BTK (0.46) BTKLCK
SCHEMBL20358478 0.79 BTK (0.61) BTKLCK
SCHEMBL20359689 0.79 BTK (0.41) MAP4K1NTRK1BTKIRAK4
SCHEMBL20359504 0.79 BTK (0.41) MAP4K1NTRK1BTKIRAK4
SCHEMBL20358688 0.78 BTK (0.41) BTKLCK
SCHEMBL20358793 0.78 BTK (0.41) BTKLCK

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 1737/4885F10 2698/4885

“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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