SCHEMBL4826019

SCHEMBL4826019

Nc1ncnc2c1c(I)nn2C1CCCNC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 9/20 0.62
KDR P35968 8/20 0.62
JAK2 O60674 2/20 0.62
RET P07949 2/20 0.62
DYRK3 O43781 2/20 0.62
CDK1 P06493 2/20 0.62
ROS1 P08922 2/20 0.62
RPS6KB1 P23443 2/20 0.62
CDK2 P24941 2/20 0.62
CSNK1A1 P48729 2/20 0.62
CSNK1D P48730 2/20 0.62
CLK2 P49760 2/20 0.62
IRAK1 P51617 2/20 0.62
CDK5 Q00535 2/20 0.62
DYRK1A Q13627 2/20 0.62
NTRK3 Q16288 2/20 0.62
SLK Q9H2G2 2/20 0.62
CLK4 Q9HAZ1 2/20 0.62
CDC7 O00311 1/20 0.62
PLK4 O00444 1/20 0.62

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
SCHEMBL13860277 1.00 SRC (0.62) SRCKDRJAK2RETDYRK3
Hydrochloric Acid SCHEMBL17911530 0.99 SRC (0.60) SRCKDRJAK2RETDYRK3
Hydrochloric Acid SCHEMBL4824866 0.99 SRC (0.60) SRCKDRJAK2RETDYRK3
Hydrochloric Acid SCHEMBL17770592 0.99 SRC (0.60) SRCKDRJAK2RETDYRK3
SCHEMBL24251864 0.92 SRC (0.64) SRCKDRJAK2RETDYRK3
SCHEMBL4821519 0.92 SRC (0.64) SRCKDRJAK2RETDYRK3
SCHEMBL14693624 0.92 SRC (0.64) SRCKDRJAK2RETDYRK3
Acetic Acid SCHEMBL4821413 0.92 RET (0.57) SRCKDRJAK2RETDYRK3
Acetic Acid SCHEMBL4821418 0.92 RET (0.57) SRCKDRJAK2RETDYRK3
Hydrochloric Acid SCHEMBL4826416 0.91 SRC (0.63) SRCKDRJAK2RETDYRK3

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3246327-B1 3-ACETYLENYL-PYRAZOLE-PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USES THEREOF SI CHUAN UNIV (CN) 2022-11-23 EP disclosed
EP-3138842-B1 POLYFLUORINATED COMPOUNDS ACTING AS BRUTON'S TYROSINE KINASE INHIBITORS ZHEJIANG DTRM BIOPHARMA CO LTD (CN) 2020-12-09 EP disclosed
EP-3138842-B1 POLYFLUORINATED COMPOUNDS ACTING AS BRUTON'S TYROSINE KINASE INHIBITORS ZHEJIANG DTRM BIOPHARMA CO LTD (CN) 2020-12-09 EP disclosed
CN-108295073-B Polyfluoro compounds as bruton's tyrosine kinase inhibitors 浙江导明医药科技有限公司 2020-06-16 CN disclosed
CN-107344940-B BTK inhibitors and uses thereof 广东东阳光药业有限公司 2020-04-21 CN disclosed
US-10300066-B2 Polyfluorinated compounds acting as bruton tyrosine kinase inhibitors Zhejiang DTRM Biopharma Co. Ltd. (CN) 2019-05-28 US disclosed
US-10300066-B2 Polyfluorinated compounds acting as bruton tyrosine kinase inhibitors Zhejiang DTRM Biopharma Co. Ltd. (CN) 2019-05-28 US 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-10266537-B2 3-acetylenyl-pyrazole-pyrimidine derivative, and preparation method therefor and uses thereof St. Chuan University (CN) 2019-04-23 US disclosed
US-20180207161-A1 POLYFLUORINATED COMPOUNDS ACTING AS BRUTON TYROSINE KINASE INHIBITORS Zhejiang DTRM Biopharma Co. Ltd. (CN) 2018-07-26 US disclosed
WO-2015165279-A1 POLYFLUORINATED COMPOUNDS ACTING AS BRUTON'S TYROSINE KINASE INHIBITORS 浙江导明医药科技有限公司 2015-11-05 WO disclosed
EP-2710005-A1 TYROSINE KINASE INHIBITORS Principia Biopharma Inc. (US) 2014-03-26 EP disclosed
WO-2012158764-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2012-11-22 WO disclosed
US-7332497-B2 As inhibitors of protein kinases ABBOTT GMBH & CO KG (DE) 2008-02-19 US disclosed
EP-1385524-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2006-02-01 EP disclosed
US-6921763-B2 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2005-07-26 US disclosed
EP-1385524-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS Abbott GmbH & Co. KG (DE) 2004-02-04 EP disclosed
US-20040006083-A1 Pyrazolopyrimidines as therapeutic agents ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2004-01-08 US disclosed
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2002-10-24 US disclosed
WO-2002080926-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-17 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 (5 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-20040006083-A1 Pyrazolopyrimidines as therapeutic agents DPYD, UGT1A1, ABCB1 SRC 2167/4885KDR 836/4885JAK2 1515/4885
US-10266537-B2 3-acetylenyl-pyrazole-pyrimidine derivative, and preparation method therefor and uses thereof DPYD, TYMP, WEE1 SRC 1111/4885KDR 2340/4885JAK2 307/4885
US-20180207161-A1 POLYFLUORINATED COMPOUNDS ACTING AS BRUTON TYROSINE KINASE INHIBITORS BTK, LCK, LYN SRC 16/4885KDR 674/4885JAK2 17/4885
US-10300066-B2 Polyfluorinated compounds acting as bruton tyrosine kinase inhibitors BTK, LCK, LYN SRC 16/4885KDR 674/4885JAK2 17/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 SRC 1834/4885KDR 1166/4885JAK2 1212/4885

“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.