SCHEMBL1593590

SCHEMBL1593590

Nc1cnc2[nH]nc(Br)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.37
RET P07949 3/20 0.37
DYRK1A Q13627 3/20 0.37
LRRK2 Q5S007 3/20 0.37
DYRK1B Q9Y463 3/20 0.37
AURKA O14965 2/20 0.37
DAPK3 O43293 2/20 0.37
MAP4K4 O95819 2/20 0.37
PAK4 O96013 2/20 0.37
ABL1 P00519 2/20 0.37
FGFR1 P11362 2/20 0.37
PDGFRA P16234 2/20 0.37
FLT1 P17948 2/20 0.37
LTK P29376 2/20 0.37
GRK5 P34947 2/20 0.37
KDR P35968 2/20 0.37
CSNK1A1 P48729 2/20 0.37
CDK8 P49336 2/20 0.37
CLK2 P49760 2/20 0.37
CDK7 P50613 2/20 0.37

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
SCHEMBL29806235 1.00 JAK2 (0.37) JAK2RETDYRK1ALRRK2DYRK1B
SCHEMBL30242908 0.77 GRM4 (0.32) JAK2RETDYRK1ALRRK2DYRK1B
SCHEMBL14685108 0.77 GRM4 (0.32) JAK2RETDYRK1ALRRK2DYRK1B
SCHEMBL12831912 0.77 DYRK1A (0.35) JAK2RETDYRK1ALRRK2DYRK1B
SCHEMBL1593072 0.77 ADORA2A (0.33) JAK2RETDYRK1ALRRK2DYRK1B
SCHEMBL30370204 0.77 JAK2 (0.39) JAK2RETDYRK1ALRRK2DYRK1B
SCHEMBL22582235 0.77 JAK2 (0.39) JAK2RETDYRK1ALRRK2DYRK1B
SCHEMBL18921901 0.77 CDK9 (0.35) JAK2RETDYRK1ALRRK2DYRK1B
SCHEMBL1496216 0.74 PDPK1 (0.43) RETLRRK2MAP4K4CDK8CDK9
SCHEMBL23107943 0.73 RET (0.31) RETLRRK2PI4KAXDHPI4K2B

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
US-20240270698-A2 NOVEL PYRIMIDINE DERIVATIVE AND USE THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2024-08-15 US disclosed
US-20230348399-A1 NOVEL PYRIMIDINE DERIVATIVE AND USE THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2023-11-02 US disclosed
EP-4079726-A1 NOVEL PYRIMIDIN DERIVATIVE AND USE THEREOF Korea Research Institute of Chemical Technology (KR) 2022-10-26 EP disclosed
CN-114829344-A Novel pyrimidine derivative and use thereof 韩国化学研究院 2022-07-29 CN disclosed
US-20220144827-A1 FIVE-AND-SIX-MEMBERED HETEROCYCLIC COMPOUND AND USE THEREOF AS PROTEIN RECEPTOR KINASE INHIBITOR SHANGHAI ENNOVABIO PHARMACEUTICALS CO., LTD. (CN) 2022-05-12 US disclosed
WO-2021125803-A1 NOVEL PYRIMIDIN DERIVATIVE AND USE THEREOF 한국화학연구원 2021-06-24 WO disclosed
US-8394795-B2 Pyrazole [3, 4-B] pyridine Raf inhibitors ARRAY BIOPHARMA INC. (US) 2013-03-12 US disclosed
EP-2265610-B1 PYRAZOLE [3, 4-B]PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC (US) 2012-12-12 EP disclosed
US-20110092479-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-04-21 US disclosed
EP-2265610-A1 PYRAZOLE [3, 4-B]PYRIDINE RAF INHIBITORS Array Biopharma, Inc. (US) 2010-12-29 EP disclosed
WO-2009111279-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-09-11 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-20240270698-A2 NOVEL PYRIMIDINE DERIVATIVE AND USE THEREOF LRRK2, PFKL, PDK3 JAK2 982/4885RET 1148/4885DYRK1A 775/4885
US-20220144827-A1 FIVE-AND-SIX-MEMBERED HETEROCYCLIC COMPOUND AND USE THEREOF AS PROTEIN RECEPTOR KINASE INHIBITOR GRK6, GRK3, ERBB2 JAK2 382/4885RET 44/4885DYRK1A 953/4885
US-20110092479-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS BRAF, RAF1, ARAF JAK2 1269/4885RET 72/4885DYRK1A 626/4885
US-20230348399-A1 NOVEL PYRIMIDINE DERIVATIVE AND USE THEREOF LRRK2, PFKL, PDK3 JAK2 982/4885RET 1148/4885DYRK1A 775/4885

“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.