SCHEMBL17488248

SCHEMBL17488248

CCn1c(NCc2ccc(Oc3ncc(Cl)cn3)cc2)nc2c(F)cc(NC3COC3)cc21

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 10/20 0.36
TP53 P04637 2/20 0.35
LMNA P02545 1/20 0.35
IL6 P05231 2/20 0.33
TLR7 Q9NYK1 2/20 0.33
CDK2 P24941 1/20 0.32
CDK9 P50750 1/20 0.32
EGFR P00533 1/20 0.32
BTK Q06187 1/20 0.32
TRPC6 Q9Y210 1/20 0.32
ALDH1A1 P00352 1/20 0.31
THRB P10828 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL17488249 0.92 NPC1 (0.34) P2RX3LMNAIL6TLR7CDK2
SCHEMBL18965979 0.82 CYP3A4 (0.43) P2RX3SMN1; SMN2
SCHEMBL18965793 0.82 MAPT (0.37) TP53CDK2CDK9EGFRBTK
SCHEMBL18965925 0.79 NPC1 (0.41) P2RX3TP53LMNACDK2CDK9
SCHEMBL17488337 0.78 TP53 (0.40) TP53LMNACDK2CDK9ALDH1A1
SCHEMBL17488307 0.77 CYP3A4 (0.41) P2RX3TP53LMNAIL6TLR7
SCHEMBL18965997 0.75 SCN9A (0.42) TP53LMNA
SCHEMBL18965840 0.74 NPC1 (0.41) TP53LMNACDK2CDK9ALDH1A1
SCHEMBL17488230 0.73 NPC1 (0.42) TP53LMNACDK2CDK9ALDH1A1
SCHEMBL18965857 0.73 TP53 (0.37) TP53EGFRBTKSMN1; 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 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 750/4885TP53 2004/4885LMNA 1905/4885

“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.