SCHEMBL16997378

SCHEMBL16997378

CC(C)(C)Cc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 3/20 0.46
▸ DAO P14920 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ SLC6A4 P31645 5/20 0.40
▸ KCNH2 Q12809 5/20 0.40
▸ HTR2A P28223 4/20 0.40
▸ MRGPRX4 Q96LA9 3/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ EPHX2 P34913 1/20 0.36
▸ NR1H4 Q96RI1 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ TP53 P04637 1/20 0.36

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
SCHEMBL13020820 0.85 SLC6A4 (0.44) PDE2AALDH1A1MAPTSLC6A4KCNH2
SCHEMBL25530524 0.85 EPHX2 (0.43) ALDH1A1MAPTSLC6A4KCNH2KDM4E
SCHEMBL20181909 0.84 DAO (0.43) PDE2ADAOALDH1A1MAPTSLC6A4
SCHEMBL2669965 0.81 DAO (0.51) PDE2ADAOSLC6A4KCNH2HTR2A
SCHEMBL19725441 0.81 DAO (0.45) PDE2ADAOMAPTSLC6A4KCNH2
SCHEMBL13644756 0.79 POLQ (0.46) PDE2ADAOIDO1CYP3A4
SCHEMBL2600028 0.79 IDO1 (0.54) PDE2ADAOSLC6A4IDO1TSHR
SCHEMBL3211500 0.79 DAO (0.49) PDE2ADAOALDH1A1MAPTSLC6A4
SCHEMBL20150065 0.78 KIF11 (0.40) PDE2ADAOIDO1TSHRCYP3A4
SCHEMBL12649988 0.78 IDO1 (0.38) PDE2ADAOSLC6A4KCNH2HTR2A

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-11008339-B2 Substituted pyrazole compounds containing pyrimidine and preparation method and use thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2021-05-18 — — US disclosed
US-20210015100-A1 SUBSTITUTED PYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2021-01-21 — — US disclosed
US-20180141961-A1 Substituted Pyrazole Compounds Containing Pyrimidine and Preparation Method and Use Thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2018-05-24 — — US disclosed
US-20180141961-A1 Substituted Pyrazole Compounds Containing Pyrimidine and Preparation Method and Use Thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2018-05-24 — — US disclosed
US-9770026-B2 Substituted pyrimidine compound and uses thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2017-09-26 — — US disclosed
US-9770026-B2 Substituted pyrimidine compound and uses thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2017-09-26 — — US disclosed
US-9682962-B2 Pyrazolyl pyrimidinamine compound and application thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2017-06-20 — — US disclosed
US-20160332991-A1 PYRAZOLYL PYRIMIDINAMINE COMPOUND AND APPLICATION THEREOF SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2016-11-17 — — US disclosed
US-9447081-B2 Substituted pyrimidines as pharmaceuticals and insecticides SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2016-09-20 — — US disclosed
US-20150257385-A1 Substituted Pyrimidine Compound and Uses Thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2015-09-17 — — US disclosed
US-20150225378-A1 HOMOPIPERONY LAMINE COMPOUND AND USE THEREOF SINOCHEM CORPORATION (CN) 2015-08-13 — — US 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-20210015100-A1 SUBSTITUTED PYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF GART, BROX, APRT PDE2A 1599/4885DAO 105/4885ALDH1A1 1957/4885
US-20180141961-A1 Substituted Pyrazole Compounds Containing Pyrimidine and Preparation Method and Use Thereof APRT, GART, PNP PDE2A 457/4885DAO 349/4885ALDH1A1 1748/4885
US-20150257385-A1 Substituted Pyrimidine Compound and Uses Thereof TYR, GART, LRRK2 PDE2A 1191/4885DAO 22/4885ALDH1A1 3786/4885
US-11008339-B2 Substituted pyrazole compounds containing pyrimidine and preparation method and use thereof APRT, GART, PNP PDE2A 457/4885DAO 349/4885ALDH1A1 1748/4885
US-20160332991-A1 PYRAZOLYL PYRIMIDINAMINE COMPOUND AND APPLICATION THEREOF CTRC, APRT, MASTL PDE2A 264/4885DAO 520/4885ALDH1A1 2456/4885
US-20150225378-A1 HOMOPIPERONY LAMINE COMPOUND AND USE THEREOF CLPP, LRRK2, MYB PDE2A 229/4885DAO 649/4885ALDH1A1 3907/4885

“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.

Send feedback