SCHEMBL16743264

SCHEMBL16743264

CSc1nnc(C(N)=O)c(Nc2cc(C)ns2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 4/20 0.42
▸ BTK Q06187 4/20 0.42
▸ JAK3 P52333 3/20 0.42
▸ IRAK4 Q9NWZ3 3/20 0.38
▸ SYK P43405 6/20 0.38
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ CHEK1 O14757 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ CSNK1D P48730 1/20 0.35
▸ RPS6KA3 P51812 1/20 0.35
▸ PLK3 Q9H4B4 1/20 0.35
▸ HTR2C P28335 2/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ AURKB Q96GD4 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32

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
SCHEMBL16743232 0.84 MAPT (0.40) LCKIRAK4SYKKMT2AMEN1
SCHEMBL16743337 0.74 LCK (0.42) LCKBTKJAK3IRAK4SYK
SCHEMBL29931211 0.74 BTK (0.46) LCKBTKJAK3IRAK4SYK
SCHEMBL25416754 0.73 PPARG (0.47) KMT2AMEN1AURKBNPC1LMNA
SCHEMBL29557791 0.73 PPARG (0.47) KMT2AMEN1AURKBNPC1LMNA
SCHEMBL15935592 0.72 SYK (0.65) SYKAURKB
SCHEMBL16743292 0.71 LCK (0.42) LCKBTKJAK3IRAK4SYK
SCHEMBL14985192 0.70 BTK (0.53) LCKBTKJAK3IRAK4SYK
SCHEMBL16743259 0.69 SYK (0.63) LCKJAK3SYKKDRAURKB
SCHEMBL18283748 0.69 RAB9A (0.41) BTKSYKKMT2AMEN1CDK2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2021-03-11 — — US disclosed
US-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2021-03-11 — — US disclosed
US-20180305348-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC 2018-10-25 — — US disclosed
EP-3310776-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE Pharmacyclics LLC (US) 2018-04-25 — — EP disclosed
WO-2016196776-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC. (US) 2016-12-08 — — WO disclosed
WO-2016196776-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC. (US) 2016-12-08 — — WO disclosed
US-9040530-B2 1,2,4-triazine-6-carboxamide kinase inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2015-05-26 — — US disclosed
US-9040530-B2 1,2,4-triazine-6-carboxamide kinase inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2015-05-26 — — 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 (2 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-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK LCK 3/4885BTK 1/4885JAK3 64/4885
US-20180305348-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK LCK 3/4885BTK 1/4885JAK3 64/4885

“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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