SCHEMBL12986909

SCHEMBL12986909

C[C@H]1COCCN1c1nc2c(c(-c3ccc(N)cc3)n1)CN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PIK3R1 P27986 19/20 0.58
▸ PIK3CA P42336 19/20 0.58
▸ MTOR P42345 1/20 0.50

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
SCHEMBL12986907 1.00 PIK3R1 (0.58) PIK3R1PIK3CAMTOR
SCHEMBL13195154 0.88 PIK3R1 (0.52) PIK3R1PIK3CAMTOR
SCHEMBL15769161 0.88 PIK3R1 (0.52) PIK3R1PIK3CAMTOR
SCHEMBL15769511 0.86 MTOR (0.55) PIK3R1PIK3CAMTOR
SCHEMBL15769509 0.86 MTOR (0.55) PIK3R1PIK3CAMTOR
SCHEMBL13194570 0.85 MTOR (0.56) PIK3R1PIK3CAMTOR
SCHEMBL15769606 0.85 MTOR (0.56) PIK3R1PIK3CAMTOR
SCHEMBL15769989 0.85 MTOR (0.57) PIK3R1PIK3CAMTOR
SCHEMBL15769987 0.85 MTOR (0.57) PIK3R1PIK3CAMTOR
SCHEMBL13194646 0.84 MTOR (0.60) PIK3R1PIK3CAMTOR

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 PIK3R1 119/4885PIK3CA 34/4885MTOR 1/4885

“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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