SCHEMBL12416272

SCHEMBL12416272

CC(C)(C)C(=O)C1CC2c3cccnc3NC2N1C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 2/20 0.32
▸ P2RX3 P56373 3/20 0.32
▸ TNKS2 Q9H2K2 2/20 0.30

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
SCHEMBL14509623 0.82 ADORA3 (0.34) IDH1
SCHEMBL12416262 0.81 MMP9 (0.32) —
SCHEMBL13245239 0.80 HTR2A (0.33) TNKS2
SCHEMBL14408314 0.79 TNKS2 (0.31) IDH1TNKS2
SCHEMBL12416269 0.78 CYP17A1 (0.30) —
SCHEMBL12416271 0.78 ADORA3 (0.34) —
SCHEMBL14416156 0.77 — —
SCHEMBL8290137 0.75 TNKS2 (0.33) IDH1TNKS2
SCHEMBL12416319 0.74 P2RX3 (0.31) P2RX3
SCHEMBL12416315 0.73 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140056847-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-02-27 — — US disclosed
US-20130177531-A1 Inhibitors of Serine Proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-11 — — US disclosed
US-20110171175-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-14 — — US disclosed
US-20070105781-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-05-10 — — 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 (4 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-20110171175-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SERPINB1, PRSS3 IDH1 2944/4885P2RX3 4765/4885TNKS2 2419/4885
US-20140056847-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SERPINB1, PRSS3 IDH1 2944/4885P2RX3 4765/4885TNKS2 2419/4885
US-20130177531-A1 Inhibitors of Serine Proteases PRSS1, SERPINB1, PRSS3 IDH1 2944/4885P2RX3 4765/4885TNKS2 2419/4885
US-20070105781-A1 Inhibitors of serine proteases PRSS1, SERPINB1, PRSS3 IDH1 2926/4885P2RX3 4779/4885TNKS2 2533/4885

“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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