SCHEMBL2074438

SCHEMBL2074438

CC(C)Nc1cnc(Cl)nc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ KAT2B Q92831 1/20 0.39
▸ NR4A2 P43354 1/20 0.35
▸ AOC1 P19801 2/20 0.33
▸ AOC3 Q16853 2/20 0.33
▸ TYRO3 Q06418 1/20 0.32
▸ DYRK1B Q9Y463 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL11375212 0.78 KMT2A (0.39) GAATDP1KAT2BNR4A2KDM4E
SCHEMBL3538817 0.77 TYRO3 (0.34) KAT2BTYRO3DYRK1BKDM4ESMN1; SMN2
SCHEMBL1935093 0.76 TDP1 (0.42) GAATDP1DYRK1BKDM4ESMN1; SMN2
SCHEMBL22994808 0.73 NFKB1 (0.37) —
SCHEMBL23330662 0.73 SMN1; SMN2 (0.41) GAASMN1; SMN2KMT2AMEN1NPC1
SCHEMBL16264859 0.72 TYRO3 (0.34) TYRO3DYRK1BKDM4EALDH1A1L3MBTL1
SCHEMBL20750115 0.72 LMNA (0.42) AOC1AOC3TYRO3DYRK1BKMT2A
SCHEMBL23330664 0.71 NFKB1 (0.38) KDM4ESMN1; SMN2ALDH1A1
SCHEMBL19675890 0.71 TDP1 (0.41) GAATDP1KDM4ESMN1; SMN2KMT2A
SCHEMBL1428249 0.70 KDM4E (0.34) TYRO3DYRK1BKDM4ESMN1; SMN2ALDH1A1

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
EP-2470546-B1 HEXAHYDROOXAZINOPTERIDINE COMPOUNDS FOR USE AS MTOR INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2013-07-24 — — EP disclosed
US-8268819-B2 Hexahydrooxazinopterine compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-18 — — US disclosed
US-20120178924-A1 HEXAHYDROOXAZINOPTERINE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-12 — — US disclosed
EP-2470546-A1 HEXAHYDROOXAZINOPTERINE COMPOUNDS FOR USE AS mTOR INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2012-07-04 — — EP disclosed
US-8163755-B2 Hexahydrooxazinopterine compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-24 — — US disclosed
WO-2011025889-A1 HEXAHYDROOXAZINOPTERINE COMPOUNDS FOR USE AS mTOR INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-03 — — WO disclosed
US-20110053921-A1 HEXAHYDROOXAZINOPTERINE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-03 — — 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 (2 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-20120178924-A1 HEXAHYDROOXAZINOPTERINE COMPOUNDS HPRT1, HCCS, NUDT1 GAA 4194/4885TDP1 3653/4885KAT2B 3646/4885
US-20110053921-A1 HEXAHYDROOXAZINOPTERINE COMPOUNDS MTOR, RICTOR, EIF4EBP1 GAA 1294/4885TDP1 4591/4885KAT2B 4157/4885

“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.

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