SCHEMBL18480093

SCHEMBL18480093

Cn1nccc1C(O)C1CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CARM1 Q86X55 1/20 0.35
▸ PRMT6 Q96LA8 1/20 0.35
▸ CYP1A2 P05177 3/20 0.33
▸ CYP2D6 P10635 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ HCAR2 Q8TDS4 1/20 0.31
▸ ACVRL1 P37023 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ COMT P21964 1/20 0.31

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
SCHEMBL20438285 0.79 ALDH1A1 (0.38) CARM1PRMT6KDM4EPIK3CDALDH1A1
SCHEMBL19026752 0.76 — —
SCHEMBL23489743 0.74 — —
SCHEMBL15200529 0.74 — —
SCHEMBL30054804 0.73 LMNA (0.42) CYP1A2CYP2D6CYP3A4TSHRALDH1A1
SCHEMBL15199512 0.71 ALDH1A1 (0.35) CYP1A2CYP2D6KDM4EPIK3CDALDH1A1
SCHEMBL22760032 0.70 IDO1 (0.33) CARM1PRMT6CYP1A2CYP2D6KDM4E
SCHEMBL29078411 0.70 HTT (0.33) CYP1A2CYP2D6TSHRPIK3CDNPC1
SCHEMBL10445655 0.69 CYP1A2 (0.41) CYP1A2CYP2D6KDM4ECYP3A4TSHR
SCHEMBL2788882 0.68 KDM4E (0.50) KDM4ETSHRALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11999721-B2 Pyrazole compounds and uses thereof YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD (IL) 2024-06-04 — — US disclosed
WO-2023143482-A1 2-AMINOPYRIMIDINE COMPOUND OR SALT, PREPARATION METHOD THEREFOR AND USE THEREOF 上海辉启生物医药科技有限公司 2023-08-03 — — WO disclosed
CN-110475771-B CK1 and/or IRAK1 inhibitors, pharmaceutical compositions and therapeutic uses for cancer treatment 耶路撒冷希伯来大学伊森姆研究发展有限公司 2022-09-02 — — CN disclosed
CN-114127058-A Heterocyclic compound, pharmaceutical composition and application thereof 北京国鸿生物医药科技有限公司 2022-03-01 — — CN disclosed
US-20220017493-A1 PYRAZOLE COMPOUNDS AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2022-01-20 — — US disclosed
US-20220017493-A1 PYRAZOLE COMPOUNDS AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2022-01-20 — — US disclosed
WO-2021249417-A1 HETEROCYCLIC COMPOUND AND DERIVATIVE THEREOF 赛诺哈勃药业(成都)有限公司 2021-12-16 — — WO disclosed
EP-3577108-B1 N1-(4-(5-(CYCLOPROPYLMETHYL)-1-METHYL-1H-PYRAZOL-4-YL)PYRIDIN-2-YL)CYCLOHEXANE-1,4-DIAMINE DERIVATIVES AND RELATED COMPOUNDS AS CK1 AND/OR IRAK1 INHIBITORS FOR TREATING CANCER YISSUM RES DEV CO OF HEBREW UNIV JERUSALEM LTD (IL) 2021-10-20 — — EP disclosed
EP-3577108-B1 N1-(4-(5-(CYCLOPROPYLMETHYL)-1-METHYL-1H-PYRAZOL-4-YL)PYRIDIN-2-YL)CYCLOHEXANE-1,4-DIAMINE DERIVATIVES AND RELATED COMPOUNDS AS CK1 AND/OR IRAK1 INHIBITORS FOR TREATING CANCER YISSUM RES DEV CO OF HEBREW UNIV JERUSALEM LTD (IL) 2021-10-20 — — EP disclosed
EP-3331877-B1 PYRAZOLE PYRIMIDINE DERIVATIVE AND USES THEREOF YISSUM RES DEV CO OF HEBREW UNIV JERUSALEM LTD (IL) 2021-09-22 — — EP disclosed
US-20210251992-A1 PYRAZOLE PYRIMIDINE DERIVATIVE AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2021-08-19 — — US disclosed
US-11072599-B2 Pyrazole compounds and uses thereof BIOTHERYX, INC. (US) 2021-07-27 — — US disclosed
WO-2021143729-A1 COMPOUND, COMPOSITION AND FUNCTIONAL MOLECULE WITH MULTI-TARGET INHIBITING EFFECT AND USE THEREOF 中国科学院上海药物研究所 2021-07-22 — — WO disclosed
US-10960003-B2 Pyrazole pyrimidine derivative and uses thereof BIOTHERYX, INC. (US) 2021-03-30 — — US disclosed
WO-2021000957-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 北京国鸿生物医药科技有限公司 2021-01-07 — — WO disclosed
US-20200354340-A1 PYRAZOLE PYRIMIDINE DERIVATIVE AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2020-11-12 — — US disclosed
US-10376511-B2 Pyrazole pyrimidine derivative and uses thereof YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2019-08-13 — — US disclosed
US-20180214447-A1 PYRAZOLE PYRIMIDINE DERIVATIVE AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. ISRAELI COMPANY, OF (IL) 2018-08-02 — — US disclosed
US-20180214447-A1 PYRAZOLE PYRIMIDINE DERIVATIVE AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. ISRAELI COMPANY, OF (IL) 2018-08-02 — — US disclosed
WO-2017021969-A1 PYRAZOLE PYRIMIDINE DERIVATIVE AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD (IL) 2017-02-09 — — 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-11999721-B2 Pyrazole compounds and uses thereof CYP11B2, CYP11B1, TPMT CARM1 3006/4885PRMT6 1726/4885CYP1A2 14/4885
US-10960003-B2 Pyrazole pyrimidine derivative and uses thereof IRAK1, IRAK2, IRAK3 CARM1 1590/4885PRMT6 1699/4885CYP1A2 3462/4885
US-20210251992-A1 PYRAZOLE PYRIMIDINE DERIVATIVE AND USES THEREOF IRAK1, IRAK2, IRAK3 CARM1 1590/4885PRMT6 1699/4885CYP1A2 3462/4885
US-10376511-B2 Pyrazole pyrimidine derivative and uses thereof IRAK1, IRAK2, IRAK3 CARM1 1590/4885PRMT6 1699/4885CYP1A2 3462/4885
US-20220017493-A1 PYRAZOLE COMPOUNDS AND USES THEREOF CYP11B2, CYP11B1, TPMT CARM1 3006/4885PRMT6 1726/4885CYP1A2 14/4885
US-11072599-B2 Pyrazole compounds and uses thereof IRAK1, IRAK2, IRAK4 CARM1 775/4885PRMT6 633/4885CYP1A2 2148/4885
US-20200354340-A1 PYRAZOLE PYRIMIDINE DERIVATIVE AND USES THEREOF IRAK1, IRAK2, IRAK4 CARM1 982/4885PRMT6 683/4885CYP1A2 2301/4885
US-20180214447-A1 PYRAZOLE PYRIMIDINE DERIVATIVE AND USES THEREOF IRAK1, IRAK2, IRAK3 CARM1 1590/4885PRMT6 1699/4885CYP1A2 3462/4885

“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.

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