SCHEMBL16743232

SCHEMBL16743232

CCOC(=O)c1nnc(SC)nc1Nc1cc(C)ns1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.40
▸ TSHR P16473 3/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SYK P43405 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ LMNA P02545 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ FOS P01100 1/20 0.37
▸ JUN P05412 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ ILK Q13418 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ GAA P10253 1/20 0.36

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
SCHEMBL16743264 0.84 LCK (0.42) MAPTTSHRMAPK1NPSR1MEN1
SCHEMBL29557846 0.77 ILK (0.53) MAPTMAPK1NPSR1MEN1KMT2A
SCHEMBL28717580 0.77 ILK (0.53) MAPTMAPK1NPSR1MEN1KMT2A
SCHEMBL15395508 0.77 ALDH1A1 (0.43) MAPTTSHRMAPK1NPSR1MEN1
SCHEMBL18283767 0.75 SYK (0.53) MAPTTSHRMAPK1NPSR1MEN1
SCHEMBL18283967 0.73 SYK (0.51) MAPTTSHRMAPK1NPSR1MEN1
SCHEMBL13528413 0.72 MEN1 (0.44) MAPTTSHRMAPK1NPSR1MEN1
SCHEMBL15910662 0.72 SYK (0.46) MAPTMAPK1MEN1KMT2ASYK
SCHEMBL24587281 0.71 ALDH1A1 (0.48) MAPTTSHRMAPK1NPSR1MEN1
SCHEMBL28720668 0.71 ALDH1A1 (0.48) MAPTMAPK1NPSR1SYKHTT

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 MAPT 4203/4885TSHR 2430/4885MAPK1 626/4885
US-20180305348-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK MAPT 4203/4885TSHR 2430/4885MAPK1 626/4885

“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