SCHEMBL16433147

SCHEMBL16433147

Clc1cnc2cn[nH]c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
NOS1 P29475 3/20 0.39
DYRK1A Q13627 2/20 0.39
SGK1 O00141 3/20 0.38
HSP90AA1 P07900 1/20 0.35
IDO1 P14902 1/20 0.35
CDK2 P24941 1/20 0.35
ABCB1 P08183 1/20 0.35
MKNK1 Q9BUB5 1/20 0.34
CHEK1 O14757 1/20 0.33
GRM4 Q14833 1/20 0.33
NUDT1 P36639 1/20 0.33
FGFR1 P11362 1/20 0.33
RET P07949 1/20 0.32
PI4KA P42356 1/20 0.32
XDH P47989 1/20 0.32
LRRK2 Q5S007 1/20 0.32
PI4K2B Q8TCG2 1/20 0.32
PI4K2A Q9BTU6 1/20 0.32
PI4KB Q9UBF8 1/20 0.32

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
SCHEMBL25047169 0.74 HSP90AA1 (0.35) ALDH1A1NOS1DYRK1ASGK1HSP90AA1
SCHEMBL19153595 0.74 CDK1 (0.46) ALDH1A1DYRK1ASGK1HSP90AA1IDO1
SCHEMBL25207314 0.74 RET (0.41) ALDH1A1DYRK1ASGK1HSP90AA1IDO1
SCHEMBL10758 0.73 NOS1 (0.47) ALDH1A1NOS1DYRK1AHSP90AA1IDO1
SCHEMBL29480802 0.73 NOS1 (0.47) ALDH1A1NOS1DYRK1AHSP90AA1IDO1
SCHEMBL2967092 0.72 MAPK1 (0.48) ALDH1A1DYRK1ANUDT1MAPK1
SCHEMBL23074994 0.69 CCR1 (0.38) ALDH1A1NOS1DYRK1ASGK1HSP90AA1
SCHEMBL18237617 0.69 ALDH1A1 (0.33) ALDH1A1DYRK1ASGK1HSP90AA1IDO1
SCHEMBL9978592 0.68 ALDH1A1 (0.43) ALDH1A1CDK2KDM4E
SCHEMBL219870 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118772157-A Synthesis method of 6-chloro-1H-pyrazolo [3,4-B ] pyrazine 浙江江北南海药业有限公司 2024-10-15 CN claimed
WO-2015013783-A1 HAIR CARE COMPOSITION COMPRISING AMINO SILICONE AND PHOSPOLIPIDE POLYMERS L'OREAL (FR) 2015-02-05 WO claimed
CN-117683033-B Substituted alkynyl heterocyclic compounds Capital Pharmaceutical Holdings (Beijing) Co.,Ltd. (CN) 2026-05-26 CN disclosed
US-20260102394-A1 PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2026-04-16 US disclosed
US-20260098049-A1 KRAS MODULATING COMPOUNDS GILEAD SCIENCES INC (US) 2026-04-09 US disclosed
US-12545684-B2 CDK2 inhibitors BLUEPRINT MEDICINES CORPORATION (US) 2026-02-10 US disclosed
EP-4646416-A1 CDK2 INHIBITORS Blueprint Medicines Corporation (US) 2025-11-12 EP disclosed
EP-4646413-A1 SOLID FORMS OF A CDK2 INHIBITOR Blueprint Medicines Corporation (US) 2025-11-12 EP disclosed
US-20250340574-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2025-11-06 US disclosed
US-12458640-B2 Pyrazolo[3,4-b]pyrazine SHP2 phosphatase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2025-11-04 US disclosed
US-12331056-B2 SHP2 phosphatase inhibitors and methods of use thereof RELAY THERAPEUTICS, INC. (US) 2025-06-17 US disclosed
WO-2018081091-A1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS RELAY THERAPEUTICS, INC. (US) 2018-05-03 WO disclosed
WO-2018057884-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2018-03-29 WO disclosed
WO-2018057884-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2018-03-29 WO disclosed
US-9738648-B2 Pyridines, pyrimidines, and pyrazines, as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2017-08-22 US disclosed
US-20170226113-A1 PYRIDINES, PYRIMIDINES, AND PYRAZINES, AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-08-10 US disclosed
EP-3049417-A1 PYRIDINES, PYRIMIDINES, AND PYRAZINES, AS BTK INHIBITORS AND USES THEREOF Merck Patent GmbH (DE) 2016-08-03 EP disclosed
US-20160159804-A1 PYRIDINES, PYRIMIDINES, AND PYRAZINES, AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-06-09 US disclosed
WO-2015013783-A1 HAIR CARE COMPOSITION COMPRISING AMINO SILICONE AND PHOSPOLIPIDE POLYMERS L'OREAL (FR) 2015-02-05 WO disclosed
WO-2015017502-A1 PYRIDINES, PYRIMIDINES, AND PYRAZINES, AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-02-05 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 (8 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-20170226113-A1 PYRIDINES, PYRIMIDINES, AND PYRAZINES, AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN ALDH1A1 4081/4885NOS1 3777/4885DYRK1A 228/4885
US-12458640-B2 Pyrazolo[3,4-b]pyrazine SHP2 phosphatase inhibitors PTPN5, PTPRZ1, PTPN1 ALDH1A1 2209/4885NOS1 3679/4885DYRK1A 441/4885
US-20160159804-A1 PYRIDINES, PYRIMIDINES, AND PYRAZINES, AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN ALDH1A1 4081/4885NOS1 3777/4885DYRK1A 228/4885
US-20250340574-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B ALDH1A1 3983/4885NOS1 4439/4885DYRK1A 4519/4885
US-20260102394-A1 PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS PTPN5, PTPN1, PTPN3 ALDH1A1 1802/4885NOS1 3183/4885DYRK1A 237/4885
US-20260098049-A1 KRAS MODULATING COMPOUNDS KRAS, NRAS, HRAS ALDH1A1 1507/4885NOS1 4710/4885DYRK1A 2261/4885
US-12545684-B2 CDK2 inhibitors CDK2, CDK4, CDK1 ALDH1A1 2433/4885NOS1 4331/4885DYRK1A 1319/4885
US-12331056-B2 SHP2 phosphatase inhibitors and methods of use thereof PTPRCAP, PTPN22, PTPN1 ALDH1A1 3280/4885NOS1 3611/4885DYRK1A 1207/4885

“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.