SCHEMBL12466130

SCHEMBL12466130

COCCNC1CCC(N)CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 4/20 0.37
IRAK4 Q9NWZ3 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMYD3 Q9H7B4 9/20 0.33
CCNK O75909 1/20 0.33
CDK9 P50750 1/20 0.33
JAK1 P23458 1/20 0.32
KDM1A O60341 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
SCHEMBL6122857 1.00 KDM4E (0.39) KDM4EALDH1A1IRAK4CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL28735986 0.98 KDM4E (0.38) KDM4EALDH1A1IRAK4CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL28735985 0.98 KDM4E (0.38) KDM4EALDH1A1IRAK4CYP1A2CYP2D6
SCHEMBL4761390 0.89
SCHEMBL14934875 0.89 SMN1; SMN2 (0.36) KDM4EALDH1A1IRAK4CYP1A2CYP2D6
SCHEMBL15388091 0.89 SMN1; SMN2 (0.36) KDM4EALDH1A1IRAK4CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL1461782 0.87
Hydrochloric Acid SCHEMBL29134334 0.85 KDM4E (0.42) KDM4EALDH1A1IRAK4CYP1A2CYP2D6
SCHEMBL24429365 0.81 ALDH1A1 (0.46) KDM4EALDH1A1IRAK4CYP1A2CYP2D6
SCHEMBL15384122 0.81 ALDH1A1 (0.46) KDM4EALDH1A1IRAK4CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240207268-A1 PYRAZOLYLPYRIMIDINES FOR TREATING MALIGNANT SOLID TUMOR YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2024-06-27 US claimed
EP-4313053-A1 PYRAZOLYLPYRIMIDINES FOR TREATING MALIGNANT SOLID TUMOR Yissum Research Development Company of the Hebrew University of Jerusalem, Ltd. (IL) 2024-02-07 EP claimed
US-20230047732-A1 PYRAZOLYLPYRIMIDINES AND USE THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM, LTD. (IL) 2023-02-16 US claimed
WO-2022204220-A1 PYRAZOLYLPYRIMIDINES FOR TREATING MALIGNANT SOLID TUMOR BIOTHERYX, INC. (US) 2022-09-29 WO claimed
US-20240207268-A1 PYRAZOLYLPYRIMIDINES FOR TREATING MALIGNANT SOLID TUMOR YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2024-06-27 US disclosed
EP-4313053-A1 PYRAZOLYLPYRIMIDINES FOR TREATING MALIGNANT SOLID TUMOR Yissum Research Development Company of the Hebrew University of Jerusalem, Ltd. (IL) 2024-02-07 EP disclosed
US-20230047732-A1 PYRAZOLYLPYRIMIDINES AND USE THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM, LTD. (IL) 2023-02-16 US disclosed
WO-2022204220-A1 PYRAZOLYLPYRIMIDINES FOR TREATING MALIGNANT SOLID TUMOR BIOTHERYX, INC. (US) 2022-09-29 WO disclosed
EP-3613737-B1 NOVEL INHIBITOR OF CYCLIN-DEPENDENT KINASE CDK9 GENFLEET THERAPEUTICS SHANGHAI INC (CN) 2021-12-29 EP disclosed
EP-3613737-B1 NOVEL INHIBITOR OF CYCLIN-DEPENDENT KINASE CDK9 GENFLEET THERAPEUTICS SHANGHAI INC (CN) 2021-12-29 EP disclosed
US-10952999-B2 Inhibitor of cyclin-dependent kinase CDK9 GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2021-03-23 US disclosed
US-10952999-B2 Inhibitor of cyclin-dependent kinase CDK9 GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2021-03-23 US disclosed
US-20200078343-A1 NOVEL INHIBITOR OF CYCLIN-DEPENDENT KINASE CDK9 Shanghai Jiongshuo Pharmaceutical Technology Co., Ltd. (CN) 2020-03-12 US disclosed
EP-3613737-A1 NOVEL INHIBITOR OF CYCLIN-DEPENDENT KINASE CDK9 Genfleet Therapeutics (Shanghai) Inc. (CN) 2020-02-26 EP disclosed
EP-3613737-A1 NOVEL INHIBITOR OF CYCLIN-DEPENDENT KINASE CDK9 Genfleet Therapeutics (Shanghai) Inc. (CN) 2020-02-26 EP disclosed
EP-2668162-A1 SUBSTITUTED BI-HETEROARYL COMPOUNDS AS CDK9 INHIBITORS AND THEIR USES Novartis AG (CH) 2013-12-04 EP disclosed
US-20130303507-A1 SUBSTITUTED HETERO-BIARYL COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2013-11-14 US disclosed
WO-2012101065-A2 PYRIMIDINE BIARYL AMINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2012-08-02 WO disclosed
WO-2012101066-A1 PYRIDINE BIARYL AMINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2012-08-02 WO disclosed
WO-2012101062-A1 SUBSTITUTED BI-HETEROARYL COMPOUNDS AS CDK9 INHIBITORS AND THEIR USES NOVARTIS AG (CH) 2012-08-02 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-20240207268-A1 PYRAZOLYLPYRIMIDINES FOR TREATING MALIGNANT SOLID TUMOR VHL, TP53, TYMP KDM4E 4012/4885ALDH1A1 1074/4885IRAK4 3619/4885
US-10952999-B2 Inhibitor of cyclin-dependent kinase CDK9 CDK9, CDK19, CDK1 KDM4E 528/4885ALDH1A1 2758/4885IRAK4 1388/4885
US-20130303507-A1 SUBSTITUTED HETERO-BIARYL COMPOUNDS AND THEIR USES CDK9, CDK19, CDK3 KDM4E 1438/4885ALDH1A1 2220/4885IRAK4 3277/4885
US-20200078343-A1 NOVEL INHIBITOR OF CYCLIN-DEPENDENT KINASE CDK9 CDK9, CDK19, CDKL1 KDM4E 519/4885ALDH1A1 2840/4885IRAK4 1208/4885
US-20230047732-A1 PYRAZOLYLPYRIMIDINES AND USE THEREOF MCL1, THPO, FLT3 KDM4E 1921/4885ALDH1A1 101/4885IRAK4 361/4885

“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.