SCHEMBL589542

SCHEMBL589542

c1cnc(Nc2cc[nH]n2)nc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.36
PLAU P00749 2/20 0.35
MEN1 O00255 1/20 0.33
MAPK10 P53779 1/20 0.33
GFER P55789 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
BCHE P06276 1/20 0.33
KDR P35968 1/20 0.33
GAA P10253 1/20 0.33
CHEK1 O14757 1/20 0.32
IKBKB O14920 1/20 0.32
AURKA O14965 1/20 0.32
NPC1 O15118 1/20 0.32
PDPK1 O15530 1/20 0.32
CHEK2 O96017 1/20 0.32
PRKCG P05129 1/20 0.32
CDK1 P06493 1/20 0.32
LYN P07948 1/20 0.32
MAPT P10636 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
SCHEMBL31134966 0.80 KMT2A (0.53) MEN1MAPK10GFERKMT2AALDH1A1
SCHEMBL692480 0.80 KMT2A (0.53) MEN1MAPK10GFERKMT2AALDH1A1
SCHEMBL1272593 0.79
SCHEMBL28506082 0.78
SCHEMBL15124961 0.77 PRKCD (0.50) MAPK10CHEK1IKBKBAURKANPC1
SCHEMBL18901342 0.73 AURKA (0.69) MEN1KMT2AALDH1A1CHEK1IKBKB
SCHEMBL834683 0.72 MAPT (0.50) MEN1GFERKMT2AALDH1A1GAA
SCHEMBL165738 0.72 ROCK1 (0.45) MEN1KMT2ACDK1CDK2
SCHEMBL21925753 0.72
SCHEMBL3435500 0.71 HPGD (0.49) ALDH1A1GAANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115819405-A Pyrimidinylaminopyrazole derivatives and their use as leucine-rich repeat kinase 2 inhibitors 沪渝人工智能研究院 2023-03-21 CN claimed
US-20260116889-A1 MACROCYCLIC PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF NEURODEGENERATIVE DISEASE CONTAINING SAME AS ACTIVE INGREDIENT WHAN IN PHARMACEUTICAL CO., LTD. (KR) 2026-04-30 US disclosed
CN-118878521-B Preparation method of LRRK2 inhibitor 苏州美诺医药科技有限公司 2025-02-14 CN disclosed
CN-118878521-A Preparation method of LRRK2 inhibitor 苏州美诺医药科技有限公司 2024-11-01 CN disclosed
EP-4450505-A1 MACROCYCLIC PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF NEURODEGENERATIVE DISEASE CONTAINING SAME AS ACTIVE INGREDIENT Whan In Pharmaceutical Co., Ltd. (KR) 2024-10-23 EP disclosed
EP-3717473-B1 POLYMORPHS AND SOLID FORMS OF A PYRIMIDINYLAMINO-PYRAZOLE COMPOUND, AND METHODS OF PRODUCTION DENALI THERAPEUTICS INC (US) 2024-01-10 EP disclosed
EP-3975719-A4 MODIFIED RELEASE FORMULATION OF A PYRIMIDINYLAMINO-PYRAZOLE COMPOUND, AND METHODS OF TREATMENT Denali Therapeutics Inc. (US) 2023-07-05 EP disclosed
WO-2023113510-A1 MACROCYCLIC PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF NEURODEGENERATIVE DISEASE CONTAINING SAME AS ACTIVE INGREDIENT 환인제약 주식회사 2023-06-22 WO disclosed
CN-115894456-A Deuterated pyrazole aminopyrimidine compound, pharmaceutical composition and application 药康众拓(江苏)医药科技有限公司 2023-04-04 CN disclosed
CN-115819405-A Pyrimidinylaminopyrazole derivatives and their use as leucine-rich repeat kinase 2 inhibitors 沪渝人工智能研究院 2023-03-21 CN disclosed
US-9382230-B2 Methods and compositions for modulating Ire1, SRC and ABL activity THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-07-05 US disclosed
WO-2015090496-A1 N1-(3,3,3-TRIFLUORO-2-HYDROXO-2-METHYLPROPIONYL)-PIPERIDINE DERIVATIVES AS INHIBITORS OF PYRUVATE DEHYDROGENASE KINASE MERCK PATENT GMBH (DE) 2015-06-25 WO disclosed
US-20150011575-A1 METHODS AND COMPOSITIONS FOR MODULATING IRE1, SRC, AND ABL ACTIVITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-01-08 US disclosed
US-8815885-B2 Methods and compositions for modulating IRE1, SRC, and ABL activity THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-08-26 US disclosed
US-8114989-B2 Pyrazolylaminopyrimidine derivatives useful as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2012-02-14 US disclosed
US-20110319436-A1 Methods and Compositions for Modulating IRE1, SRC, and ABL Activity THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-29 US disclosed
EP-2340248-A2 METHODS AND COMPOSITIONS FOR MODULATING IRE1, SRC, AND ABL ACTIVITY The Regents of the University of California (US) 2011-07-06 EP disclosed
WO-2010031056-A2 METHODS AND COMPOSITIONS FOR MODULATING IRE1, SRC, AND ABL ACTIVITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-03-18 WO disclosed
US-20080287437-A1 Pyrazolylaminopyrimidine Derivatives Useful as Tyrosine Kinase Inhibitors ASTRAZENECA AB (SE) 2008-11-20 US disclosed
CN-101238116-A Pyrazolylaminopyrimidine derivatives useful as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2008-08-06 CN 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-20150011575-A1 METHODS AND COMPOSITIONS FOR MODULATING IRE1, SRC, AND ABL ACTIVITY XBP1, SRC, HSP90B1 ACHE 3914/4885PLAU 1589/4885MEN1 4777/4885
US-20260116889-A1 MACROCYCLIC PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF NEURODEGENERATIVE DISEASE CONTAINING SAME AS ACTIVE INGREDIENT PARK7, LRRK2, SNCA ACHE 183/4885PLAU 3971/4885MEN1 3335/4885
US-20080287437-A1 Pyrazolylaminopyrimidine Derivatives Useful as Tyrosine Kinase Inhibitors ABL1, FLT3, ERBB2 ACHE 4875/4885PLAU 2682/4885MEN1 2604/4885
US-20110319436-A1 Methods and Compositions for Modulating IRE1, SRC, and ABL Activity XBP1, SRC, HSP90B1 ACHE 3914/4885PLAU 1589/4885MEN1 4777/4885

“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.