SCHEMBL53863

SCHEMBL53863

Clc1nc(Cl)c2cn[nH]c2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.47
PAK4 O96013 1/20 0.47
PDE2A O00408 1/20 0.40
BTK Q06187 1/20 0.39
XDH P47989 2/20 0.36
RET P07949 1/20 0.36
PI4KA P42356 1/20 0.36
LRRK2 Q5S007 1/20 0.36
PI4K2B Q8TCG2 1/20 0.36
PI4K2A Q9BTU6 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
NOS1 P29475 4/20 0.35
DYRK1A Q13627 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
ADORA2A P29274 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL61883 0.83 PLK4 (0.53) PLK4PAK4PDE2ABTKSMN1; SMN2
SCHEMBL12398424 0.79 PLK4 (0.36) PLK4PAK4XDHRETPI4KA
SCHEMBL30008432 0.79 PLK4 (0.33) PLK4PAK4
SCHEMBL31439112 0.79 NOS1 (0.37) PLK4PAK4PDE2AXDHRET
SCHEMBL341706 0.79 ADORA2A (0.47) PLK4PAK4XDHRETPI4KA
SCHEMBL560806 0.79 RET (0.52) PLK4PAK4PDE2ABTKXDH
SCHEMBL2266999 0.79 PLK4 (0.45) PLK4PAK4PDE2ABTKXDH
SCHEMBL166657 0.79 PLK4 (0.42) PLK4PAK4XDHSMN1; SMN2ADORA2A
SCHEMBL8095697 0.78 PLK4 (0.55) PLK4PAK4PDE2ABTKXDH
Hydrochloric Acid SCHEMBL5003526 0.78 PLK4 (0.41) PLK4PAK4XDHSMN1; SMN2ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010011620-A1 4-PHENOXY-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE AND N-ARYL-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-01-28 WO claimed
US-20100015141-A1 4-PHENOXY-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE AND N-ARYL-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-01-21 US claimed
US-20260146059-A1 MODULATORS OF 5'-NUCLEOTIDASE, ECTO AND THE USE THEREOF ARCUS BIOSCIENCES, INC. (US) 2026-05-28 US disclosed
CN-117683033-B Substituted alkynyl heterocyclic compounds Capital Pharmaceutical Holdings (Beijing) Co.,Ltd. (CN) 2026-05-26 CN disclosed
CN-117466964-B Nucleoside diphosphate compound and preparation method thereof 南京烁慧医药科技有限公司 2026-05-15 CN disclosed
US-20260092053-A1 KHK INHIBITORS GILEAD SCIENCES INC (US) 2026-04-02 US disclosed
US-12577272-B2 CD73 inhibitors ORIC PHARMACEUTICALS, INC. (US) 2026-03-17 US disclosed
US-20260042794-A1 CD73 INHIBITORS ORIC PHARMACEUTICALS INC (US) 2026-02-12 US disclosed
EP-3964518-B1 CD73 INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF ABBISKO THERAPEUTICS CO LTD (CN) 2026-01-28 EP disclosed
EP-4681774-A2 KHK INHIBITORS Gilead Sciences, Inc. (US) 2026-01-21 EP disclosed
EP-4674481-A2 CD73 INHIBITORS Oric Pharmaceuticals, Inc. (US) 2026-01-07 EP disclosed
US-20070142402-A1 Kinase Inhibitors And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2007-06-21 US disclosed
US-20070142402-A1 Kinase Inhibitors And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2007-06-21 US disclosed
WO-2007070872-A1 KINASE INHIBITORS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2007-06-21 WO disclosed
EP-1772454-A1 NITROGENOUS FUSED BICYCLIC COMPOUND TANABE SEIYAKU CO., LTD. (JP) 2007-04-11 EP disclosed
EP-0673376-B1 BICYCLIC PYRIMIDINE COMPOUNDS, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID COMPOUNDS ADIR (FR) 1996-05-22 EP disclosed
US-5508277-A Bicyclic pyrimidines ADIR ET COMPAGNIE (FR) 1996-04-16 US disclosed
EP-0673376-A1 NOVEL BICYCLIC PYRIMIDINE COMPOUNDS, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID COMPOUNDS. ADIR (FR) 1995-09-27 EP disclosed
WO-1994013668-A1 NOVEL BICYCLIC PYRIMIDINE COMPOUNDS, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID COMPOUNDS ADIR ET COMPAGNIE (FR) 1994-06-23 WO disclosed
EP-0168730-A2 Process for forming direct positive images, direct positive silver halide elements, compositions and compounds as characteristic feature of such processes and elements MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1986-01-22 EP 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-12577272-B2 CD73 inhibitors NT5E, ADORA2A, NTPCR PLK4 4713/4885PAK4 4720/4885PDE2A 679/4885
US-20260092053-A1 KHK INHIBITORS KHK, SLC5A2, HK1 PLK4 864/4885PAK4 2043/4885PDE2A 2623/4885
US-20070142402-A1 Kinase Inhibitors And Their Uses BTK, SYK, LYN PLK4 512/4885PAK4 325/4885PDE2A 1933/4885
US-20100015141-A1 4-PHENOXY-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE AND N-ARYL-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PIK3CA, PIK3CD PLK4 138/4885PAK4 60/4885PDE2A 1598/4885
US-20260042794-A1 CD73 INHIBITORS NT5E, ENTPD5, ENTPD1 PLK4 2405/4885PAK4 2205/4885PDE2A 298/4885
US-20260146059-A1 MODULATORS OF 5'-NUCLEOTIDASE, ECTO AND THE USE THEREOF NTPCR, NT5C2, NT5E PLK4 4780/4885PAK4 4658/4885PDE2A 1124/4885

“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.