SCHEMBL21750686

SCHEMBL21750686

COc1ccc(Nc2cc(-c3ccccc3)nc(C3CCCN(C(=O)OC(C)(C)C)C3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
GALR2 O43603 2/20 0.46
GALR1 P47211 2/20 0.46
ALDH1A1 P00352 5/20 0.46
USP30 Q70CQ3 1/20 0.46
MAPT P10636 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 3/20 0.46
MEN1 O00255 1/20 0.46
TSHR P16473 1/20 0.46
CRHBP P24387 1/20 0.46
KMT2A Q03164 1/20 0.46
CRHR2 Q13324 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HPGDS O60760 1/20 0.46
ACP1 P24666 1/20 0.44
PRMT5 O14744 2/20 0.43
GAA P10253 1/20 0.43
MAP3K12 Q12852 1/20 0.43

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
SCHEMBL20551893 1.00 HTT (0.49) HTTGALR2GALR1ALDH1A1USP30
SCHEMBL20551540 0.92 TP53 (0.50) HTTALDH1A1USP30MAPTTSHR
SCHEMBL21750810 0.92 TP53 (0.50) HTTALDH1A1USP30MAPTTSHR
SCHEMBL21750727 0.89 USP30 (0.45) USP30MAPTHPGDSPRMT5MMP13
SCHEMBL21750806 0.84 USP30 (0.46) USP30HPGDSACP1PRMT5APLNR
SCHEMBL20552124 0.82 MAPT (0.52) HTTALDH1A1MAPTNPSR1KDM4E
SCHEMBL25086948 0.78 ALDH1A1 (0.45) HTTALDH1A1MAPTNPSR1HPGD
SCHEMBL20551464 0.78 PDE10A (0.49) GALR2GALR1ALDH1A1MAPT
SCHEMBL25087215 0.78 GRM5 (0.43) GALR2ALDH1A1MAPTNPSR1ACP1
SCHEMBL20551961 0.77 ADORA3 (0.45) GALR2GALR1MAPTACP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12503456-B2 Substituted pyrimidines and 1,3,5-triazines as RHOJ inhibitors FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2025-12-23 US disclosed
EP-3825310-B1 TRISUBSTITUTED PYRIMIDINE COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER, RETINAL DISORDERS, AND CARDIOMYOPATHIES FONDAZIONE ST ITALIANO TECNOLOGIA (IT) 2025-11-12 EP disclosed
US-20240391898-A1 Compounds and Compositions for the Treatment of Cancer, Retinal Disorders, and Cardiomyopathies FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2024-11-28 US disclosed
CN-112279833-B Trisubstituted pyrimidine compounds and compositions for the treatment of cancer, retinal disorders and cardiomyopathy 意大利学院科技基金会 2024-04-16 CN disclosed
US-11952366-B2 Substituted 1,3,5-triazines as inhibitors for a rho family of GTP-ases FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2024-04-09 US disclosed
CN-110799505-B Trisubstituted pyrimidine compounds and compositions for the treatment of cancer, retinal disorders and cardiomyopathy 意大利学院科技基金会 2022-08-30 CN disclosed
US-20220242848-A1 Compounds and Compositions for the Treatment of Cancer, Retinal Disorders, and Cardiomyopathies FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2022-08-04 US disclosed
US-11198682-B2 Substituted pyrimidines as inhibitors for a Rho family of GTP-ases FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2021-12-14 US disclosed
US-11198682-B2 Substituted pyrimidines as inhibitors for a Rho family of GTP-ases FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2021-12-14 US disclosed
EP-3619202-B1 TRISUBSTITUTED PYRIMIDINE COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER, RETINAL DISORDERS, AND CARDIOMYOPATHIES FONDAZIONE ST ITALIANO TECNOLOGIA (IT) 2021-06-30 EP disclosed
EP-3619202-B1 TRISUBSTITUTED PYRIMIDINE COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER, RETINAL DISORDERS, AND CARDIOMYOPATHIES FONDAZIONE ST ITALIANO TECNOLOGIA (IT) 2021-06-30 EP disclosed
EP-3825310-A1 TRISUBSTITUTED PYRIMIDINE COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER, RETINAL DISORDERS, AND CARDIOMYOPATHIES Fondazione Istituto Italiano di Tecnologia (IT) 2021-05-26 EP disclosed
EP-3825310-A1 TRISUBSTITUTED PYRIMIDINE COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER, RETINAL DISORDERS, AND CARDIOMYOPATHIES Fondazione Istituto Italiano di Tecnologia (IT) 2021-05-26 EP disclosed
CN-112279833-A Tri-substituted pyrimidine compounds and compositions for the treatment of cancer, retinal disorders and cardiomyopathy 意大利学院科技基金会 2021-01-29 CN disclosed
US-20200062733-A1 Compounds and Compositions for the Treatment of Cancer, Retinal Disorders, and Cardiomyopathies FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2020-02-27 US disclosed
US-20200062733-A1 Compounds and Compositions for the Treatment of Cancer, Retinal Disorders, and Cardiomyopathies FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2020-02-27 US disclosed
CN-110799505-A Tri-substituted pyrimidine compounds and compositions for the treatment of cancer, retinal disorders and cardiomyopathy 意大利学院科技基金会 2020-02-14 CN 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-11952366-B2 Substituted 1,3,5-triazines as inhibitors for a rho family of GTP-ases CDC42, RHOA, TNK2 HTT 2889/4885GALR2 3164/4885GALR1 2331/4885
US-12503456-B2 Substituted pyrimidines and 1,3,5-triazines as RHOJ inhibitors TNK2, CDC42, CDC42BPA HTT 3789/4885GALR2 3930/4885GALR1 3310/4885
US-20200062733-A1 Compounds and Compositions for the Treatment of Cancer, Retinal Disorders, and Cardiomyopathies CDC42, RHOA, RHOT2 HTT 3502/4885GALR2 1257/4885GALR1 1048/4885
US-20240391898-A1 Compounds and Compositions for the Treatment of Cancer, Retinal Disorders, and Cardiomyopathies CDC42, RHOA, RHOT2 HTT 3502/4885GALR2 1257/4885GALR1 1048/4885
US-11198682-B2 Substituted pyrimidines as inhibitors for a Rho family of GTP-ases CDC42, TNK2, ARHGEF1 HTT 3174/4885GALR2 3999/4885GALR1 3352/4885
US-20220242848-A1 Compounds and Compositions for the Treatment of Cancer, Retinal Disorders, and Cardiomyopathies CDC42, RHOA, RHOT2 HTT 3502/4885GALR2 1257/4885GALR1 1048/4885

“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.