SCHEMBL985243

SCHEMBL985243

CC1(C)OCc2c(N3CCOCC3)nc(-c3ccc(Br)cc3)nc21

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 15/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.40
HIF1A Q16665 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL2728259 0.84 MTOR (0.47) MTORSMN1; SMN2MAPTHIF1A
SCHEMBL2709295 0.82 MTOR (0.57) MTOR
SCHEMBL984817 0.81 MTOR (0.51) MTOR
SCHEMBL7763500 0.81 PIK3CA (0.58) MTOR
SCHEMBL985776 0.80 MTOR (0.67) MTOR
SCHEMBL2711565 0.79 MTOR (0.43) MTORALDH1A1HIF1A
SCHEMBL2708281 0.79 MTOR (0.43) MTORALDH1A1HIF1A
SCHEMBL2726275 0.78 MTOR (0.51) MTOR
SCHEMBL2708261 0.78 PIK3CA (0.49) MTOR
SCHEMBL2707460 0.78 PIK3CA (0.60) MTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012099581-A1 DIHYDROFUROPYRIMIDINE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-26 WO claimed
US-20110021515-A1 DIHYROFUROPYRMINDINE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-27 US claimed
WO-2012099581-A1 DIHYDROFUROPYRIMIDINE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-26 WO disclosed
WO-2012099581-A1 DIHYDROFUROPYRIMIDINE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-26 WO disclosed
US-20110021515-A1 DIHYROFUROPYRMINDINE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-27 US disclosed
US-20110021515-A1 DIHYROFUROPYRMINDINE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-27 US disclosed
US-20110021515-A1 DIHYROFUROPYRMINDINE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-27 US 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 (1 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-20110021515-A1 DIHYROFUROPYRMINDINE COMPOUNDS MTOR, RICTOR, DEPTOR MTOR 1/4885SMN1; SMN2 3777/4885ALDH1A1 1928/4885

“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.