SCHEMBL12811829

SCHEMBL12811829

O=C(NC1CCC1)ON1C(=O)CCC1=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 7/20 0.42
▸ ALDH1A1 P00352 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP8 P22894 1/20 0.36

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
SCHEMBL13547213 0.95 EPHX1 (0.49) EPHX1ALDH1A1RAB9AKMT2ANPC1
SCHEMBL2676319 0.95 EPHX1 (0.49) EPHX1ALDH1A1RAB9AKMT2ANPC1
SCHEMBL13809020 0.86 ALDH1A1 (0.34) EPHX1ALDH1A1RAB9AKMT2AMEN1
SCHEMBL13547356 0.86 HTT (0.38) EPHX1ALDH1A1RAB9AKMT2ANPC1
SCHEMBL13547377 0.85 KDM4E (0.43) ALDH1A1MAPTKDM4E
SCHEMBL13547225 0.85 KDM4E (0.46) EPHX1ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL3617697 0.84 HTT (0.36) EPHX1ALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL13547222 0.84 KDM4E (0.45) EPHX1ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL3612641 0.84 HTT (0.36) EPHX1ALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL13547226 0.83 RAB9A (0.34) EPHX1ALDH1A1RAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118111-B1 2-AMIN0-5, 7-DIHYDR0-6H- PYRROLO [3, 4-D] PYRIMIDINE DERIVATIVES AS HSP-90 INHIBITORS FOR TREATING CANCER PFIZER (US) 2011-03-23 — — EP disclosed
US-20100093696-A1 2-AMINO PYRIMIDINE COMPOUNDS PFIZER INC. 2010-04-15 — — US disclosed
US-20100093696-A1 2-AMINO PYRIMIDINE COMPOUNDS PFIZER INC. 2010-04-15 — — 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-20100093696-A1 2-AMINO PYRIMIDINE COMPOUNDS HSP90AB2P, HSP90AB1, HSP90AA1 EPHX1 2596/4885ALDH1A1 771/4885RAB9A 2205/4885

“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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