SCHEMBL670211

SCHEMBL670211

CNc1nc(OCCOC)c(C(=O)N[C@H]2CC[C@H](C(F)(F)F)CC2)cc1N

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 4/20 0.42
LRRK2 Q5S007 1/20 0.40
PTGES O14684 1/20 0.38
CNR2 P34972 1/20 0.37
PDE4B Q07343 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
SCHEMBL11908598 1.00 TYK2 (0.42) TYK2LRRK2PTGESCNR2PDE4B
SCHEMBL670861 0.92 CNR1 (0.38) TYK2LRRK2PTGESCNR2
SCHEMBL11907809 0.92 CNR1 (0.38) TYK2LRRK2PTGESCNR2
SCHEMBL11980752 0.91 CNR2 (0.39) TYK2LRRK2PTGESCNR2
SCHEMBL11908921 0.89 TYK2 (0.41) TYK2CNR2PDE4B
SCHEMBL11908919 0.89 TYK2 (0.41) TYK2CNR2PDE4B
SCHEMBL671327 0.88 PTGES (0.44) LRRK2PTGESCNR2
SCHEMBL672703 0.88 PTGES (0.44) LRRK2PTGESCNR2
SCHEMBL11908744 0.85 TYK2 (0.41) TYK2LRRK2CNR2PDE4B
SCHEMBL11908746 0.85 TYK2 (0.41) TYK2LRRK2CNR2PDE4B

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-8586604-B2 Inhibitors of the microsomal prostaglandin E2 synthase-1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-19 US disclosed
EP-2606046-A1 2-(ARYLAMINO)-3H-IMIDAZO[4,5-B]PYRIDINE-6-CARBOXAMIDE DERIVATIVES AND THEIR USE AS MPGES-1 INHIBITORS Boehringer Ingelheim International GmbH (DE) 2013-06-26 EP disclosed
US-20120208839-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-16 US disclosed
WO-2012022792-A1 2-(ARYLAMINO)-3H-IMIDAZO[4,5-B]PYRIDINE-6-CARBOXAMIDE DERIVATIVES AND THEIR USE AS MPGES-1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 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-20120208839-A1 NEW COMPOUNDS PTGER1, PTGS1, PTGES TYK2 4718/4885LRRK2 3541/4885PTGES 3/4885

“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.