SCHEMBL21750810

SCHEMBL21750810

COc1cccc(Nc2cc(-c3ccccc3)nc(C3CCCN(C(=O)OC(C)(C)C)C3)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
USP30 Q70CQ3 2/20 0.47
HPGDS O60760 1/20 0.44
APLNR P35414 1/20 0.44
PRMT5 O14744 2/20 0.44
HTT P42858 1/20 0.43
MAP3K12 Q12852 1/20 0.43
ABCB1 P08183 2/20 0.43
ABCG2 Q9UNQ0 2/20 0.43
TGFBR1 P36897 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
ACKR3 P25106 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
ABCC1 P33527 1/20 0.41
ABL1 P00519 1/20 0.41
EGFR P00533 1/20 0.41
SRC P12931 1/20 0.41

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
SCHEMBL20551540 1.00 TP53 (0.50) TP53MAPTUSP30HPGDSAPLNR
SCHEMBL20551893 0.92 HTT (0.49) MAPTUSP30HPGDSAPLNRPRMT5
SCHEMBL21750686 0.92 HTT (0.49) MAPTUSP30HPGDSAPLNRPRMT5
SCHEMBL20552124 0.91 MAPT (0.52) TP53MAPTHTTABCB1ABCG2
SCHEMBL21750806 0.88 USP30 (0.46) USP30HPGDSAPLNRPRMT5ACKR3
SCHEMBL21750727 0.84 USP30 (0.45) MAPTUSP30HPGDSPRMT5TGFBR1
SCHEMBL29887170 0.84 TP53 (0.51) TP53MAPTUSP30ABCB1ABCG2
SCHEMBL28359727 0.84 TP53 (0.48) TP53MAPTUSP30HTTABCB1
SCHEMBL25087173 0.79 L3MBTL1 (0.50) TP53MAPTMAP3K12NPC1EGFR
SCHEMBL25087333 0.79 BRAF (0.46) TP53MAPTHTTMAP3K12NPC1

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 16 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
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 (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-11952366-B2 Substituted 1,3,5-triazines as inhibitors for a rho family of GTP-ases CDC42, RHOA, TNK2 TP53 2062/4885MAPT 1329/4885USP30 4340/4885
US-12503456-B2 Substituted pyrimidines and 1,3,5-triazines as RHOJ inhibitors TNK2, CDC42, CDC42BPA TP53 1329/4885MAPT 878/4885USP30 4671/4885
US-20200062733-A1 Compounds and Compositions for the Treatment of Cancer, Retinal Disorders, and Cardiomyopathies CDC42, RHOA, RHOT2 TP53 1479/4885MAPT 1372/4885USP30 4684/4885
US-11198682-B2 Substituted pyrimidines as inhibitors for a Rho family of GTP-ases CDC42, TNK2, ARHGEF1 TP53 942/4885MAPT 1109/4885USP30 4640/4885
US-20220242848-A1 Compounds and Compositions for the Treatment of Cancer, Retinal Disorders, and Cardiomyopathies CDC42, RHOA, RHOT2 TP53 1479/4885MAPT 1372/4885USP30 4684/4885

“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.