SCHEMBL19103239

SCHEMBL19103239

COc1nc(C)ncc1I

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.37
P2RX2 Q9UBL9 1/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
LRRK2 Q5S007 1/20 0.31
KMT2A Q03164 1/20 0.31
PDE10A Q9Y233 1/20 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
SCHEMBL1471865 0.78 QPCT (0.39) LRRK2KMT2A
SCHEMBL9918974 0.77 LMNA (0.38) LMNAHTTRECQLKMT2APDE10A
SCHEMBL2817366 0.77 ALDH1A1 (0.43) HTTLRRK2KMT2A
SCHEMBL1180511 0.77 NUDT1 (0.44) P2RX3P2RX2HTTKMT2A
SCHEMBL10304905 0.76 KMT2A (0.52) P2RX3P2RX2LMNARECQLKMT2A
SCHEMBL9977648 0.74 LMNA (0.36) LMNAHTTRECQLKMT2APDE10A
SCHEMBL31366250 0.74 GAA (0.40) P2RX3P2RX2LMNAHTTRECQL
SCHEMBL12093317 0.74 LRRK2 (0.39) LMNAHTTLRRK2KMT2APDE10A
SCHEMBL13004012 0.74 GAA (0.40) P2RX3P2RX2LMNAHTTRECQL
SCHEMBL10216223 0.72 P2RX3 (0.42) P2RX3P2RX2LMNA

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
US-9796712-B2 Heteroaryl compounds for kinase inhibition ARIAD PHARMACEUTICALS, INC. (US) 2017-10-24 US disclosed
US-20170253594-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-09-07 US disclosed
US-20170197962-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. 2017-07-13 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 (2 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-20170197962-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ERBB2, EGFR, ERBB3 P2RX3 3481/4885P2RX2 3241/4885LMNA 2843/4885
US-20170253594-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ERBB2, EGFR, ERBB3 P2RX3 3481/4885P2RX2 3241/4885LMNA 2843/4885

“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.