SCHEMBL11902447

SCHEMBL11902447

Nc1cc2c(N)nc(-c3ccc(OCc4cccc(Cl)c4)c(Cl)c3)nc2cn1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.47
DCPS Q96C86 1/20 0.46
MRGPRX4 Q96LA9 6/20 0.44
MPO P05164 1/20 0.42
MGLL Q99685 1/20 0.38
ROCK1 Q13464 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
MAP4K3 Q8IVH8 1/20 0.37
MAP4K4 O95819 1/20 0.37
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
KCNH2 Q12809 1/20 0.36
PIN1 Q13526 1/20 0.36
MAOB P27338 2/20 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
SCHEMBL2946180 0.87 DHFR (0.48) DHFRDCPSMRGPRX4MPOMGLL
SCHEMBL2949081 0.83 DHFR (0.45) DHFRDCPSMRGPRX4KDM4EHPGD
SCHEMBL11902828 0.82 SYK (0.46)
SCHEMBL11903347 0.81 FYN (0.42) DHFRMRGPRX4MAP4K4
SCHEMBL2950029 0.78 EGFR (0.44) MRGPRX4KDM4EHPGDMAP4K4
SCHEMBL2255723 0.77 EGFR (0.47) MRGPRX4
SCHEMBL2949651 0.77 MRGPRX4 (0.42) DHFRDCPSMRGPRX4KDM4EHPGD
SCHEMBL11903355 0.77 NPC1 (0.51) DHFR
SCHEMBL2949280 0.77 EGFR (0.44)
SCHEMBL2950833 0.76 MAPT (0.52) MRGPRX4KDM4EHPGDMAP4K4

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-20160031877-A1 KINASE INHIBITORS, PRODRUG FORMS THEREOF AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2016-02-04 US disclosed
US-9101632-B2 Kinase inhibitors, prodrug forms thereof and their use in therapy AUCKLAND UNISERVICES LIMITED (NZ) 2015-08-11 US disclosed
US-20120202832-A1 KINASE INHIBITORS, PRODRUG FORMS THEREOF AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2012-08-09 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-20160031877-A1 KINASE INHIBITORS, PRODRUG FORMS THEREOF AND THEIR USE IN THERAPY ERBB2, MAP3K3, ERBB3 DHFR 749/4885DCPS 3792/4885MRGPRX4 1382/4885
US-20120202832-A1 KINASE INHIBITORS, PRODRUG FORMS THEREOF AND THEIR USE IN THERAPY ERBB2, MAP3K3, MAP3K19 DHFR 764/4885DCPS 3967/4885MRGPRX4 1589/4885

“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.