SCHEMBL17488296

SCHEMBL17488296

Nc1nc2ccc(NC3COC3)cc2n1Cc1ccc(Oc2ccc(Cl)cn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 18/20 0.41
IL6 P05231 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
TNF P01375 1/20 0.39
CXCL8 P10145 1/20 0.39
SOS1 Q07889 1/20 0.39
NOD2 Q9HC29 1/20 0.39
NOD1 Q9Y239 1/20 0.39

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
SCHEMBL17488298 0.90 SOS1 (0.46) P2RX3IL6TLR7TNFCXCL8
SCHEMBL17487435 0.85 P2RX3 (0.43) P2RX3
SCHEMBL17488212 0.84 CYP3A4 (0.41) P2RX3IL6TLR7
SCHEMBL17488307 0.83 CYP3A4 (0.41) P2RX3IL6TLR7
SCHEMBL17488005 0.82 CYP3A4 (0.41) P2RX3
SCHEMBL17488173 0.81 CYP3A4 (0.48) P2RX3
SCHEMBL17487358 0.81 SOS1 (0.48) P2RX3TNFCXCL8SOS1NOD2
SCHEMBL18965845 0.81 CYP3A4 (0.41) P2RX3IL6TLR7
SCHEMBL17487731 0.80 P2RX3 (0.41) P2RX3
SCHEMBL18965799 0.80 CYP3A4 (0.41) P2RX3IL6TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2017-06-15 US disclosed
WO-2016016421-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2016-02-04 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-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS ALOX5, ALOX15, ALOX12 P2RX3 750/4885IL6 1167/4885TLR7 2833/4885

“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.