SCHEMBL3618940

SCHEMBL3618940

Clc1nccc(-c2cccc3[nH]ccc23)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.50
GSK3B P49841 3/20 0.44
DYRK1A Q13627 2/20 0.44
MAP3K14 Q99558 2/20 0.44
CLK1 P49759 1/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
PIK3CB P42338 2/20 0.44
PIK3CG P48736 1/20 0.44
ATR Q13535 2/20 0.41
RHEB Q15382 4/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
NUDT1 P36639 1/20 0.40
BRD4 O60885 1/20 0.40
CDK9 P50750 1/20 0.40
JAK2 O60674 1/20 0.40
ROCK2 O75116 1/20 0.40
PRKCA P17252 1/20 0.40
PRKACA P17612 1/20 0.40

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
SCHEMBL3615777 0.82 GSK3B (0.67) PIK3CDGSK3BDYRK1AMAP3K14CLK1
SCHEMBL3818537 0.80 DYRK1A (0.68) GSK3BDYRK1AMAP3K14CLK1CDK5
SCHEMBL29534011 0.80 DYRK1A (0.68) GSK3BDYRK1AMAP3K14CLK1CDK5
SCHEMBL3618905 0.78 PIK3CD (0.47) PIK3CDGSK3BDYRK1AMAP3K14CLK1
SCHEMBL3618907 0.78 BRD4 (0.48) PIK3CDGSK3BDYRK1AMAP3K14CLK1
SCHEMBL3255183 0.78 PRKCI (0.58) GSK3BDYRK1ACDK5RHEBNUDT1
SCHEMBL3617870 0.77 EIF2AK2 (0.59) CDK5CDK5R1PIK3CBPIK3CGCSNK2A1
SCHEMBL5786593 0.76 MAPT (0.43) GSK3BDYRK1ACDK5CDK5R1CDK9
SCHEMBL31452201 0.76 MAPT (0.43) GSK3BDYRK1ACDK5CDK5R1CDK9
SCHEMBL3615967 0.75 BRD4 (0.47) PIK3CDGSK3BDYRK1AMAP3K14CLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208967-A1 Pyrimidine or Pyridine Compounds, Preparation Method Therefor and Pharmaceutical Uses Thereof INVENTISBIO CO LTD (CN) 2024-06-27 US disclosed
US-11203589-B2 Pyrimidine or pyridine compounds, preparation method therefor and pharmaceutical uses thereof InventisBio Co., Ltd. (CN) 2021-12-21 US disclosed
EP-3885344-A2 PYRIMIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF InventisBio Co., Ltd. (CN) 2021-09-29 EP disclosed
US-20190152969-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF INVENTISBIO SHANGHAI LTD. (CN) 2019-05-23 US disclosed
US-10179784-B2 Pyrimidine or pyridine compounds, preparation method therefor and pharmaceutical uses thereof INVENTISBIO SHANGHAI LTD. (CN) 2019-01-15 US disclosed
US-20170355696-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF InventisBio Co., Ltd. (CN) 2017-12-14 US disclosed
US-20170355696-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF InventisBio Co., Ltd. (CN) 2017-12-14 US disclosed
EP-3216786-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF Shanghai Shaletech Technology Co., Ltd. (CN) 2017-09-13 EP disclosed
US-20100093776-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-04-15 US disclosed
CN-101568530-A Indol-4-yl-pyrimidinyl-2-yl-amine derivatives and use thereof as cyclin dependant kinase inhibitors NOVARTIS AG (CH) 2009-10-28 CN disclosed
EP-2094681-A1 INDOL-4-YL-PYRIMIDINYL-2-YL-AMINE DERIVATIVES AND USE THEREOF AS CYCLIN DEPENDANT KINASE INHIBITORS Novartis AG (CH) 2009-09-02 EP disclosed
WO-2008079918-A1 INDOL-4-YL-PYRIMIDINYL-2-YL-AMINE DERIVATIVES AND USE THEREOF AS CYCLIN DEPENDANT KINASE INHIBITORS NOVARTIS AG (CH) 2008-07-03 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 (6 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-20190152969-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF EGFR, WEE1, DPYD PIK3CD 973/4885GSK3B 821/4885DYRK1A 739/4885
US-20240208967-A1 Pyrimidine or Pyridine Compounds, Preparation Method Therefor and Pharmaceutical Uses Thereof EGFR, WEE1, DPYD PIK3CD 973/4885GSK3B 821/4885DYRK1A 739/4885
US-11203589-B2 Pyrimidine or pyridine compounds, preparation method therefor and pharmaceutical uses thereof EGFR, WEE1, TP53 PIK3CD 1100/4885GSK3B 795/4885DYRK1A 709/4885
US-20170355696-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF EGFR, WEE1, DPYD PIK3CD 1007/4885GSK3B 809/4885DYRK1A 620/4885
US-10179784-B2 Pyrimidine or pyridine compounds, preparation method therefor and pharmaceutical uses thereof EGFR, WEE1, DPYD PIK3CD 973/4885GSK3B 821/4885DYRK1A 739/4885
US-20100093776-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 PIK3CD 4775/4885GSK3B 3423/4885DYRK1A 4791/4885

“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.