SCHEMBL855340

SCHEMBL855340

Nc1ncc(-c2nc(N3CCOCC3)cc(N3CCOCC3)n2)c(C(F)(F)F)n1

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTOR P42345 14/20 0.76
PIK3CA P42336 11/20 0.76
PIK3CB P42338 5/20 0.76
PIK3CD O00329 2/20 0.76
PIK3CG P48736 2/20 0.76
PIK3C2B O00750 1/20 0.76
PIK3R1 P27986 1/20 0.76
PIK3C3 Q8NEB9 1/20 0.76
PI4KB Q9UBF8 1/20 0.76

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
SCHEMBL2447372 0.90 MTOR (0.63) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL1311948 0.88 PIK3CA (0.71) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL1309466 0.86 PIK3CA (1.00) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL29879988 0.86 PIK3CA (1.00) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL856368 0.85 MTOR (0.60) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL10198065 0.84 MTOR (0.61) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL10327728 0.83 MTOR (1.00) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL29627295 0.83 MTOR (1.00) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL1309362 0.83 MTOR (0.76) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL855868 0.83 PIK3CA (0.68) MTORPIK3CAPIK3CBPIK3CDPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173647-B2 PI 3-kinase inhibitors and methods of their use NOVARTIS AG (CH) 2012-05-08 US claimed
EP-2118087-B1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-03-28 EP claimed
US-20100048547-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2010-02-25 US claimed
EP-2118087-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE Novartis Ag (CH) 2009-11-18 EP claimed
WO-2008098058-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2008-08-14 WO claimed
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-11147800-B2 Combinatorial methods to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof RACE ONCOLOGY LTD. (AU) 2021-10-19 US disclosed
US-11135201-B2 Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof RACE ONCOLOGY LTD. (AU) 2021-10-05 US disclosed
US-10993947-B2 Treatment of skin lesions TORQUR (CH) 2021-05-04 US disclosed
EP-2118087-B1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-03-28 EP disclosed
EP-2118087-B1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-03-28 EP disclosed
US-20100048547-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2010-02-25 US disclosed
US-20100048547-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2010-02-25 US disclosed
US-20100048547-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2010-02-25 US disclosed
EP-2118087-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE Novartis Ag (CH) 2009-11-18 EP disclosed
WO-2008098058-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2008-08-14 WO disclosed
WO-2008098058-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2008-08-14 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-20210361665-A1 TREATMENT OF SKIN LESIONS CXCR3, C3AR1, CCR3 MTOR 4061/4885PIK3CA 3770/4885PIK3CB 4445/4885
US-20220153752-A1 DIFLUOROMETHYL-AMINOPYRIDINES AND DIFLUOROMETHYL-AMINOPYRIMIDINES PIK3CA, MTOR, PIKFYVE MTOR 2/4885PIK3CA 1/4885PIK3CB 12/4885
US-20220135551-A1 TREATMENT OF NEUROLOGICAL DISORDERS CHRM1, CHRM2, C1R MTOR 4473/4885PIK3CA 4513/4885PIK3CB 4670/4885
US-20100048547-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE PI4KA, PI4KB, PI4K2A MTOR 64/4885PIK3CA 5/4885PIK3CB 8/4885
US-11135201-B2 Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof CYP3A43, HCCS, MCL1 MTOR 2949/4885PIK3CA 426/4885PIK3CB 769/4885
US-11147800-B2 Combinatorial methods to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof CYP3A43, CYP11B1, MCL1 MTOR 2086/4885PIK3CA 1228/4885PIK3CB 1318/4885
US-10993947-B2 Treatment of skin lesions CXCR3, CCR3, C3AR1 MTOR 4107/4885PIK3CA 3971/4885PIK3CB 4669/4885
US-11186591-B2 Difluoromethyl-aminopyridines and difluoromethyl-aminopyrimidines PIK3CA, MTOR, PIKFYVE MTOR 2/4885PIK3CA 1/4885PIK3CB 12/4885

“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.