SCHEMBL11965415

SCHEMBL11965415

[C-]#[N+]c1nc([N+](=O)[O-])c(C)n1C

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 4/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ATM Q13315 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KMT2A Q03164 2/20 0.31
CHEK1 O14757 1/20 0.30
DAPK3 O43293 1/20 0.30
GRK5 P34947 1/20 0.30
LIMK1 P53667 1/20 0.30
PKM P14618 1/20 0.30
MEN1 O00255 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
SCHEMBL64091 0.76 ALDH1A1 (0.42) KDM4EALDH1A1L3MBTL1ATMGAA
SCHEMBL10102723 0.76 ATM (0.33) KDM4EALDH1A1ATMSMN1; SMN2KMT2A
SCHEMBL10102721 0.76 MAPT (0.32) KDM4EALDH1A1GAA
SCHEMBL10102727 0.73 MAPT (0.36) KDM4EALDH1A1L3MBTL1ATMGAA
SCHEMBL10102759 0.73 KDM4E (0.43) KDM4EALDH1A1L3MBTL1ATMGAA
SCHEMBL10108154 0.72 KDM4E (0.34) KDM4EALDH1A1L3MBTL1ATMGAA
SCHEMBL16882296 0.70 ALDH1A1 (0.35) KDM4EALDH1A1L3MBTL1ATMGAA
SCHEMBL10108283 0.70 KMT2A (0.35) KDM4EALDH1A1L3MBTL1ATMGAA
SCHEMBL10102755 0.70 KDM4E (0.33) KDM4EALDH1A1L3MBTL1ATMGAA
SCHEMBL10108285 0.69 KDM4E (0.33) KDM4EALDH1A1L3MBTL1ATMGAA

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 KDM4E 794/4885ALDH1A1 2362/4885L3MBTL1 869/4885
US-20120202832-A1 KINASE INHIBITORS, PRODRUG FORMS THEREOF AND THEIR USE IN THERAPY ERBB2, MAP3K3, MAP3K19 KDM4E 729/4885ALDH1A1 2355/4885L3MBTL1 811/4885

“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.