SCHEMBL3248683

SCHEMBL3248683

CCCCCc1ccnc(N)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.53
TLR8 Q9NR97 3/20 0.51
PDPK1 O15530 2/20 0.45
HRH3 Q9Y5N1 4/20 0.41
HRH2 P25021 1/20 0.41
NOS2 P35228 1/20 0.40
HRH4 Q9H3N8 1/20 0.39
DHFR P00374 1/20 0.39
NUDT1 P36639 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL14043611 0.98 KCNH2 (0.56) KCNH2TLR8PDPK1HRH3HRH2
SCHEMBL5748930 0.98 KCNH2 (0.56) KCNH2TLR8PDPK1HRH3HRH2
SCHEMBL5749599 0.98 KCNH2 (0.56) KCNH2TLR8PDPK1HRH3HRH2
SCHEMBL5748502 0.98 KCNH2 (0.56) KCNH2TLR8PDPK1HRH3HRH2
SCHEMBL12514073 0.94 TLR8 (0.53) KCNH2TLR8PDPK1HRH3HRH2
SCHEMBL12336950 0.86 TLR8 (0.47) TLR8PDPK1HRH3NOS2HRH4
SCHEMBL28749703 0.81 HRH3 (0.51) TLR8PDPK1HRH3HRH4NUDT1
SCHEMBL11561943 0.79 KCNH2 (0.55) KCNH2TLR8PDPK1NOS2KDM4E
SCHEMBL899234 0.79 KCNH2 (0.55) KCNH2TLR8PDPK1KDM4E
Ammonia Solution, Strong SCHEMBL5846083 0.79 HRH3 (0.50) TLR8PDPK1HRH3HRH4NUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4914077-A GOOD HUE AND STABILITY EASTMAN KODAK COMPANY (US) 1990-04-03 US claimed
US-11608384-B2 Humanized anti-TPBG antibody, preparation method therefor, conjugate thereof, and applications XDCEXPLORER (SHANGHAI) CO., LTD. (CN) 2023-03-21 US disclosed
US-20220411407-A1 ARYL AMINOPYRIMIDINES AS DUAL MERTK AND TYRO3 INHIBITORS AND METHODS THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2022-12-29 US disclosed
US-20210363154-A1 PYRIMIDINE COMPOUNDS AND METHODS USING THE SAME THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2021-11-25 US disclosed
CN-106687114-B Pyrimidine compounds and methods of use thereof 尤马治疗公司 2021-08-31 CN disclosed
US-20210198377-A1 TPBG ANTIBODY AND PREPARATION METHOD THEREFOR, CONJUGATE AND USE THEREOF XDCEXPLORER (SHANGHAI) CO., LTD. (CN) 2021-07-01 US disclosed
WO-2021097326-A1 ARYL AMINOPYRIMIDINES AS DUAL MERTK AND TYRO3 INHIBITORS AND METHODS THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2021-05-20 WO disclosed
US-10961254-B2 Pyrimidine compounds and methods using the same YUMA THERAPEUTICS, INC. (US) 2021-03-30 US disclosed
US-20200062856-A1 Humanized Anti-TPBG Antibody, Preparation Method Therefor, Conjugate Thereof, and Applications XDCEXPLORER (SHANGHAI) CO., LTD. (CN) 2020-02-27 US disclosed
EP-3608335-A1 HUMANIZED ANTI-TPBG ANTIBODY, PREPARATION METHOD THEREFOR, CONJUGATE THEREOF, AND APPLICATIONS XDCExplorer (Shanghai) Co., Ltd. (CN) 2020-02-12 EP disclosed
CN-101421250-A 4-aryl-2-amino-pyrimidines or 4-aryl-2-aminoalkyl-pyrimidines as jak-2 modulators and pharmaceutical compositions containing them EXELIXIS INC (US) 2009-04-29 CN disclosed
CN-101302203-A 6-aryl aminopyrimidine compound and synthetic method thereof UNIV YUNNAN (CN) 2008-11-12 CN disclosed
WO-2008130944-A1 SOLID PHASE SYNTHESES OF AMINO PYRIMIDINE COMPOUNDS IRM LLC (BM) 2008-10-30 WO disclosed
CN-101242843-A Aminopyrimidines as kinase modulators JANSSEN PHARMACEUTICA NV (BE) 2008-08-13 CN disclosed
CN-101242844-A Aminopyrimidines as kinase modulators JANSSEN PHARMACEUTICA NV (BE) 2008-08-13 CN disclosed
CN-1130358-C Imidazole compound and preparation method and application thereof SMITHKLINE BEECHAM CORP (US) 2003-12-10 CN disclosed
CN-1192147-A Imidazole compounds SMITHKLINE BEECHAM CORP (US) 1998-09-02 CN disclosed
US-5795905-A 3-AMINO-5-PHENYL-1,2,4-TRIAZOLES NEUROCRINE BIOSCIENCES, INC. (US) 1998-08-18 US disclosed
EP-0846108-A1 AMINO-SUBSTITUTED THIADIAZOLES, PYRIMIDINES, TRIAZINES OR TRIAZOLES USEFUL AS CTF RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 1998-06-10 EP disclosed
WO-1996039400-A1 AMINO-SUBSTITUTED THIADIAZOLES, PYRIMIDINES, TRIAZINES OR TRIAZOLES USEFUL AS CTF RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 1996-12-12 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 (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-20210198377-A1 TPBG ANTIBODY AND PREPARATION METHOD THEREFOR, CONJUGATE AND USE THEREOF TNFSF11, FARSB, SHBG KCNH2 3451/4885TLR8 3397/4885PDPK1 4172/4885
US-20210363154-A1 PYRIMIDINE COMPOUNDS AND METHODS USING THE SAME HSP90AB2P, HSF1, HSPH1 KCNH2 2363/4885TLR8 4230/4885PDPK1 2514/4885
US-10961254-B2 Pyrimidine compounds and methods using the same HSP90AB2P, HSPH1, HSF1 KCNH2 2926/4885TLR8 4349/4885PDPK1 3135/4885
US-11608384-B2 Humanized anti-TPBG antibody, preparation method therefor, conjugate thereof, and applications SHBG, IGSF11, CYP4F11 KCNH2 4218/4885TLR8 2270/4885PDPK1 4404/4885
US-20200062856-A1 Humanized Anti-TPBG Antibody, Preparation Method Therefor, Conjugate Thereof, and Applications SHBG, IGSF11, CYP4F11 KCNH2 4218/4885TLR8 2270/4885PDPK1 4404/4885
US-20220411407-A1 ARYL AMINOPYRIMIDINES AS DUAL MERTK AND TYRO3 INHIBITORS AND METHODS THEREOF MERTK, TYRO3, MATK KCNH2 4815/4885TLR8 798/4885PDPK1 210/4885

“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.