SCHEMBL10124249

SCHEMBL10124249

C[C@@H]1COCCN1c1nc(Cl)nc(Cl)n1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTOR P42345 19/20 0.50
PIK3CA P42336 4/20 0.44
PIK3R1 P27986 2/20 0.44
ATR Q13535 1/20 0.44

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
SCHEMBL14811271 1.00 MTOR (0.50) MTORPIK3CAPIK3R1ATR
SCHEMBL14811270 1.00 MTOR (0.50) MTORPIK3CAPIK3R1ATR
SCHEMBL20692837 0.97 MTOR (0.53) MTORPIK3CAPIK3R1
SCHEMBL21029958 0.97 MTOR (0.53) MTORPIK3CAPIK3R1
SCHEMBL21394004 0.97 MTOR (0.53) MTORPIK3CAPIK3R1
SCHEMBL19629401 0.97 MTOR (0.53) MTORPIK3CAPIK3R1
SCHEMBL22759099 0.91 MTOR (0.46) MTORPIK3CAPIK3R1
SCHEMBL23505802 0.89 MTOR (0.52) MTORPIK3CAPIK3R1
SCHEMBL21375707 0.89 MTOR (0.52) MTORPIK3CAPIK3R1
SCHEMBL20692832 0.89 MTOR (0.52) MTORPIK3CAPIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212160-A1 2,4,6-TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AS ATR KINASE INHIBITORS BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2023-07-06 US disclosed
US-20230014057-A1 TREATMENT OF SKIN DISORDERS TORQUR AG (CH) 2023-01-19 US disclosed
US-20220153752-A1 DIFLUOROMETHYL-AMINOPYRIDINES AND DIFLUOROMETHYL-AMINOPYRIMIDINES TORQUR AG (CH) 2022-05-19 US disclosed
US-20220135551-A1 TREATMENT OF NEUROLOGICAL DISORDERS PIQUR THERAPEUTICS AG (CH) 2022-05-05 US disclosed
US-11186591-B2 Difluoromethyl-aminopyridines and difluoromethyl-aminopyrimidines UNIVERSITÄT BASEL (CH) 2021-11-30 US disclosed
US-20210361665-A1 TREATMENT OF SKIN LESIONS TORQUR AG (CH) 2021-11-25 US disclosed
US-10993947-B2 Treatment of skin lesions TORQUR (CH) 2021-05-04 US disclosed
US-20210107913-A1 TREATMENT OF SKIN DISORDERS TORQUR AG (CH) 2021-04-15 US disclosed
WO-2020244613-A1 2, 4, 6-TRI-SUBSTITUTED PYRIMIDINE COMPOUND AS ATR KINASE INHIBITOR 北京泰德制药股份有限公司 2020-12-10 WO disclosed
US-20200277304-A1 DIFLUOROMETHYL-AMINOPYRIDINES AND DIFLUOROMETHYL-AMINOPYRIMIDINES TORQUR AG (CH) 2020-09-03 US disclosed
US-10640516-B2 Difluoromethyl-aminopyridines and difluoromethyl-aminopyrimidines PIQUR THERAPEUTICS AG (CH) 2020-05-05 US disclosed
US-20190290653-A1 TREATMENT OF SKIN LESIONS TORQUR AG (CH) 2019-09-26 US disclosed
US-20190284178-A1 TREATMENT OF NEUROLOGICAL DISORDERS TORQUR AG (CH) 2019-09-19 US disclosed
US-20190031682-A1 DIFLUOROMETHYL-AMINOPYRIDINES AND DIFLUOROMETHYL-AMINOPYRIMIDINES TORQUR AG (CH) 2019-01-31 US disclosed
US-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 US disclosed
US-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 US disclosed
EP-2397479-A1 HETERO RING DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-21 EP disclosed
WO-2010092962-A1 HETERO RING DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-19 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 (14 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-20210361665-A1 TREATMENT OF SKIN LESIONS CXCR3, C3AR1, CCR3 MTOR 4061/4885PIK3CA 3770/4885PIK3R1 3165/4885
US-20220153752-A1 DIFLUOROMETHYL-AMINOPYRIDINES AND DIFLUOROMETHYL-AMINOPYRIMIDINES PIK3CA, MTOR, PIKFYVE MTOR 2/4885PIK3CA 1/4885PIK3R1 30/4885
US-20210107913-A1 TREATMENT OF SKIN DISORDERS RXFP3, CBR3, CXCR3 MTOR 2897/4885PIK3CA 3974/4885PIK3R1 1902/4885
US-20220135551-A1 TREATMENT OF NEUROLOGICAL DISORDERS CHRM1, CHRM2, C1R MTOR 4473/4885PIK3CA 4513/4885PIK3R1 3948/4885
US-20120165309-A1 HETERO RING DERIVATIVE IL2, PIK3R2, IL2RA MTOR 155/4885PIK3CA 28/4885PIK3R1 6/4885
US-10993947-B2 Treatment of skin lesions CXCR3, CCR3, C3AR1 MTOR 4107/4885PIK3CA 3971/4885PIK3R1 3358/4885
US-20230014057-A1 TREATMENT OF SKIN DISORDERS RXFP3, CCR3, CBR3 MTOR 3212/4885PIK3CA 4158/4885PIK3R1 2100/4885
US-10640516-B2 Difluoromethyl-aminopyridines and difluoromethyl-aminopyrimidines PIK3CA, MTOR, PIKFYVE MTOR 2/4885PIK3CA 1/4885PIK3R1 30/4885
US-20230212160-A1 2,4,6-TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AS ATR KINASE INHIBITORS ATR, CHEK2, CHEK1 MTOR 241/4885PIK3CA 108/4885PIK3R1 520/4885
US-20200277304-A1 DIFLUOROMETHYL-AMINOPYRIDINES AND DIFLUOROMETHYL-AMINOPYRIMIDINES PIK3CA, MTOR, PIKFYVE MTOR 2/4885PIK3CA 1/4885PIK3R1 30/4885
US-20190031682-A1 DIFLUOROMETHYL-AMINOPYRIDINES AND DIFLUOROMETHYL-AMINOPYRIMIDINES PIK3CA, MTOR, PIKFYVE MTOR 2/4885PIK3CA 1/4885PIK3R1 30/4885
US-20190284178-A1 TREATMENT OF NEUROLOGICAL DISORDERS CHRM1, CHRM2, C1R MTOR 4473/4885PIK3CA 4513/4885PIK3R1 3948/4885
US-20190290653-A1 TREATMENT OF SKIN LESIONS CXCR3, CCR3, C3AR1 MTOR 4107/4885PIK3CA 3971/4885PIK3R1 3358/4885
US-11186591-B2 Difluoromethyl-aminopyridines and difluoromethyl-aminopyrimidines PIK3CA, MTOR, PIKFYVE MTOR 2/4885PIK3CA 1/4885PIK3R1 30/4885

“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.