SCHEMBL868744

SCHEMBL868744

CCn1nc(I)c2c(N)ncnc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.51
PRKDC P78527 2/20 0.51
KDR P35968 4/20 0.50
RET P07949 3/20 0.50
MAPK1 P28482 3/20 0.50
SRC P12931 2/20 0.50
DYRK3 O43781 2/20 0.50
CDK1 P06493 2/20 0.50
ROS1 P08922 2/20 0.50
RPS6KB1 P23443 2/20 0.50
CDK2 P24941 2/20 0.50
CSNK1A1 P48729 2/20 0.50
CSNK1D P48730 2/20 0.50
CLK2 P49760 2/20 0.50
IRAK1 P51617 2/20 0.50
CDK5 Q00535 2/20 0.50
DYRK1A Q13627 2/20 0.50
NTRK3 Q16288 2/20 0.50
SLK Q9H2G2 2/20 0.50
CLK4 Q9HAZ1 2/20 0.50

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
SCHEMBL4572201 0.87 RET (0.48) PIK3CDPRKDCKDRRETMAPK1
SCHEMBL21293809 0.84 ADORA2A (0.48) PIK3CDKDRRETMAPK1SRC
SCHEMBL25678087 0.83 RET (0.52) PIK3CDKDRRETMAPK1SRC
SCHEMBL10261498 0.83 PIK3CD (0.53) PIK3CDPRKDCKDRRETMAPK1
SCHEMBL17936088 0.83 MAPK1 (0.47) PIK3CDPRKDCKDRRETMAPK1
SCHEMBL21950482 0.83 MAPK1 (0.60) PIK3CDKDRRETMAPK1SRC
SCHEMBL17962785 0.83 FYN (0.49) PIK3CDPRKDCKDRRETMAPK1
SCHEMBL16701523 0.82 ADK (0.49) PIK3CDPRKDCKDRRETMAPK1
SCHEMBL25678064 0.81 PIK3CG (0.48) PIK3CDPRKDCKDRRETMAPK1
SCHEMBL868521 0.81 DYRK3 (0.51) PIK3CDPRKDCKDRRETMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023187471-A1 HETEROARYL DERIVATIVE COMPOUNDS, AND USES THEREOF VORONOI INC. (KR) 2023-10-05 WO disclosed
WO-2023187471-A1 HETEROARYL DERIVATIVE COMPOUNDS, AND USES THEREOF VORONOI INC. (KR) 2023-10-05 WO disclosed
US-10266537-B2 3-acetylenyl-pyrazole-pyrimidine derivative, and preparation method therefor and uses thereof St. Chuan University (CN) 2019-04-23 US disclosed
US-20170305920-A1 3-ACETYLENYL-PYRAZOLE-PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USES THEREOF SI CHUAN UNIVERSITY (CN) 2017-10-26 US disclosed
US-20170305920-A1 3-ACETYLENYL-PYRAZOLE-PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USES THEREOF SI CHUAN UNIVERSITY (CN) 2017-10-26 US disclosed
EP-2549868-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-01-07 EP disclosed
US-8598156-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-12-03 US disclosed
EP-2549868-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2013-01-30 EP disclosed
US-20130018038-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2013-01-17 US disclosed
US-20120077828-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-03-29 US disclosed
WO-2011119663-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO 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 (4 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-20170305920-A1 3-ACETYLENYL-PYRAZOLE-PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USES THEREOF DPYD, TYMP, WEE1 PIK3CD 991/4885PRKDC 844/4885KDR 2340/4885
US-10266537-B2 3-acetylenyl-pyrazole-pyrimidine derivative, and preparation method therefor and uses thereof DPYD, TYMP, WEE1 PIK3CD 991/4885PRKDC 844/4885KDR 2340/4885
US-20130018038-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R PIK3CD 725/4885PRKDC 762/4885KDR 3297/4885
US-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R PIK3CD 725/4885PRKDC 762/4885KDR 3297/4885

“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.