SCHEMBL20209844

SCHEMBL20209844

COc1ccc(CNc2nc(Cl)nc3[nH]ncc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 3/20 0.57
CCNE2 O96020 1/20 0.52
CCNE1 P24864 1/20 0.52
CDK2 P24941 1/20 0.52
APP P05067 2/20 0.47
POLB P06746 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.46
MAP2K4 P45985 1/20 0.46
PAK4 O96013 2/20 0.46
HTT P42858 1/20 0.46
ROCK2 O75116 1/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
ROCK1 Q13464 1/20 0.45
PRKG1 Q13976 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
PDE2A O00408 1/20 0.44
PDPK1 O15530 1/20 0.44

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
SCHEMBL17443015 0.83 APP (0.62) PLK4CCNE1CDK2APPKMT2A
SCHEMBL17933800 0.82 SGK1 (0.51) PLK4APPPAK4ROCK2PDE2A
SCHEMBL21332784 0.81 CCNE2 (0.51) PLK4CCNE2CCNE1CDK2APP
SCHEMBL24087494 0.81 MAP2K4 (0.53) PLK4CCNE2CCNE1CDK2APP
SCHEMBL22904675 0.80 PDE2A (0.60) PLK4APPPAK4PDE2ALMNA
Hydrochloric Acid SCHEMBL8888083 0.79 LMNA (0.67) PLK4POLBMEN1KMT2AMAPT
SCHEMBL15619030 0.78 CCNE2 (0.68) CCNE2CCNE1CDK2APPPOLB
SCHEMBL25881948 0.78 CNR2 (0.47) PLK4APPPOLBMAPTHTT
SCHEMBL3108883 0.77 MEN1 (0.60) CCNE2CCNE1CDK2APPPOLB
SCHEMBL1685041 0.77 APP (0.74) APPPOLBCLK4LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114667282-B Pyrimidine amide compounds and methods of treating cancer 昊运股份有限公司 2024-09-03 CN disclosed
US-20240150356-A1 Pyrimidine amide compounds and use thereof ALPHALA CO., LTD. (TW) 2024-05-09 US disclosed
WO-2023244430-A1 PYRIMIDINE AMIDE COMPOUNDS AND USE THEREOF ALPHALA CO., LTD. (TW) 2023-12-21 WO disclosed
EP-4048656-A1 PYRIMIDINE AMIDE COMPOUNDS AND USE THEREOF Alphala Co., Ltd. (TW) 2022-08-31 EP disclosed
CN-111819178-B Crystal form of pyrazolo heteroaryl derivative hydrochloride and preparation method thereof 江苏恒瑞医药股份有限公司 2022-04-12 CN disclosed
US-20210380593-A1 PYRAZOLO-HETEROARYL DERIVATIVE, PREPARATION METHOD AND MEDICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO (CN) 2021-12-09 US disclosed
US-11117898-B2 Pyrazolo-heteroaryl derivative, preparation method and medical use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2021-09-14 US disclosed
EP-3546457-B1 PYRAZOLO-HETEROARYL DERIVATIVE, PREPARATION METHOD AND MEDICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO (CN) 2021-07-14 EP disclosed
US-20210188856-A1 CRYSTAL FORM OF HYDROCHLORIDE OF PYRAZOLOHETEROARYL DERIVATIVE AND PREPARATION METHOD SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD (CN) 2021-06-24 US disclosed
WO-2021080980-A1 PYRIMIDINE AMIDE COMPOUNDS AND USE THEREOF ALPHALA CO., LTD. (TW) 2021-04-29 WO disclosed
US-20210115046-A1 PYRAZOLO-HETEROARYL DERIVATIVE, PREPARATION METHOD AND MEDICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2021-04-22 US disclosed
EP-3808745-A1 CRYSTAL FORM OF HYDROCHLORIDE OF PYRAZOLOHETEROARYL DERIVATIVE AND PREPARATION METHOD Jiangsu Hengrui Medicine Co., Ltd. (CN) 2021-04-21 EP disclosed
EP-3546457-A1 PYRAZOLO-HETEROARYL DERIVATIVE, PREPARATION METHOD AND MEDICAL USE THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2019-10-02 EP disclosed
WO-2018095426-A1 PYRAZOLO-HETEROARYL DERIVATIVE, PREPARATION METHOD AND MEDICAL USE THEREOF 江苏恒瑞医药股份有限公司 2018-05-31 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 (5 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-20210115046-A1 PYRAZOLO-HETEROARYL DERIVATIVE, PREPARATION METHOD AND MEDICAL USE THEREOF TLR7, TLR3, TLR4 PLK4 2658/4885CCNE2 4527/4885CCNE1 4666/4885
US-11117898-B2 Pyrazolo-heteroaryl derivative, preparation method and medical use thereof TLR7, TLR3, TLR4 PLK4 2658/4885CCNE2 4527/4885CCNE1 4666/4885
US-20240150356-A1 Pyrimidine amide compounds and use thereof TYMP, DPYD, TYMS PLK4 1513/4885CCNE2 706/4885CCNE1 144/4885
US-20210188856-A1 CRYSTAL FORM OF HYDROCHLORIDE OF PYRAZOLOHETEROARYL DERIVATIVE AND PREPARATION METHOD CYP2F1, CYP7A1, CYP11B2 PLK4 1252/4885CCNE2 2852/4885CCNE1 3463/4885
US-20210380593-A1 PYRAZOLO-HETEROARYL DERIVATIVE, PREPARATION METHOD AND MEDICAL USE THEREOF TLR7, TLR3, TLR4 PLK4 2658/4885CCNE2 4527/4885CCNE1 4666/4885

“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.