SCHEMBL20359716

SCHEMBL20359716

CN(C)C(=O)NC1CCN(c2n[nH]c3nccc(-c4ccc(CN)c(F)c4)c23)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 5/20 0.41
▸ MLNR O43193 2/20 0.37
▸ GRIA1 P42261 2/20 0.35
▸ ACKR3 P25106 1/20 0.34
▸ AKT1 P31749 2/20 0.34
▸ WNT1 P04628 3/20 0.34
▸ DYRK1A Q13627 3/20 0.34
▸ CCNC P24863 1/20 0.34
▸ CDK8 P49336 1/20 0.34
▸ KDM5B Q9UGL1 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ CDK9 P50750 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
SCHEMBL20359712 1.00 BTK (0.41) BTKMLNRGRIA1ACKR3AKT1
SCHEMBL20358765 0.91 BTK (0.42) BTKMLNRGRIA1AKT1IRAK4
SCHEMBL20358769 0.91 BTK (0.42) BTKMLNRGRIA1AKT1IRAK4
SCHEMBL20359273 0.85 BTK (0.45) BTK
SCHEMBL20359015 0.83 BTK (0.46) BTK
SCHEMBL20359642 0.83 BTK (0.43) BTKCCNT1CDK9
SCHEMBL20359644 0.83 BTK (0.43) BTKCCNT1CDK9
SCHEMBL20359344 0.82 BTK (0.47) BTK
SCHEMBL20358499 0.82 BTK (0.46) BTK
SCHEMBL20358814 0.82 BTK (0.41) BTK

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 BTK 1/4885MLNR 1993/4885GRIA1 2830/4885

“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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