SCHEMBL12987499

SCHEMBL12987499

CC(C)(C)OC(=O)N1Cc2nc(Cl)nc(-c3ccc([N+](=O)[O-])cc3)c2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ MTOR P42345 3/20 0.38
▸ C5AR1 P21730 1/20 0.38
▸ PARP1 P09874 1/20 0.36
▸ TNKS2 Q9H2K2 1/20 0.36
▸ PARP2 Q9UGN5 1/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ CKS1B P61024 1/20 0.35
▸ SKP1 P63208 1/20 0.35
▸ SKP2 Q13309 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ KCNK3 O14649 1/20 0.35
▸ KCNK9 Q9NPC2 1/20 0.35
▸ ACHE P22303 1/20 0.34
▸ HRH2 P25021 1/20 0.34

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
SCHEMBL19357879 0.85 CKS1B (0.48) MTORC5AR1PARP1TNKS2PARP2
SCHEMBL13195154 0.79 PIK3R1 (0.52) MTOR
SCHEMBL15769161 0.79 PIK3R1 (0.52) MTOR
SCHEMBL12988096 0.78 CA12 (0.48) ALDH1A1MAPTMTORC5AR1L3MBTL1
SCHEMBL1832431 0.77 PARP1 (0.46) MAPTMTORPARP1TNKS2PARP2
SCHEMBL27083693 0.76 ALDH1A1 (0.47) ALDH1A1LMNAMAPTMTORC5AR1
SCHEMBL30458208 0.76 MAPT (0.51) ALDH1A1LMNAMAPTMTORC5AR1
SCHEMBL19358103 0.75 KCNK3 (0.40) C5AR1PARP1TNKS2PARP2KCNK3
SCHEMBL443240 0.75 POLB (0.40) ALDH1A1MAPTMTORC5AR1PARP1
SCHEMBL27083701 0.75 ALDH1A1 (0.45) ALDH1A1LMNAMAPTMTORESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140163023-A1 DIHYDROPYRROLO PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED (GB) 2014-06-12 — — US disclosed
US-20140163023-A1 DIHYDROPYRROLO PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED (GB) 2014-06-12 — — US disclosed
US-20140163023-A1 DIHYDROPYRROLO PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED (GB) 2014-06-12 — — US disclosed
EP-2694511-A1 DIHYDROPYRROLO PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS Cellzome Limited (GB) 2014-02-12 — — EP disclosed
WO-2012136622-A1 DIHYDROPYRROLO PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED (GB) 2012-10-11 — — WO disclosed
WO-2012136622-A1 DIHYDROPYRROLO PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED (GB) 2012-10-11 — — 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 (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-20140163023-A1 DIHYDROPYRROLO PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS MTOR, RICTOR, RPTOR ALDH1A1 3368/4885LMNA 4004/4885MAPT 1658/4885

“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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