SCHEMBL10102747

SCHEMBL10102747

Cn1c(CC#N)nc([N+](=O)[O-])c1CO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 7/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
ATM Q13315 1/20 0.34
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
LMNA P02545 3/20 0.32
MAPT P10636 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
F2R P25116 1/20 0.32
F2RL3 Q96RI0 1/20 0.32
CYP2C19 P33261 3/20 0.32
HTT P42858 1/20 0.32
JAK2 O60674 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
RECQL P46063 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
SCHEMBL10102752 0.85 KMT2A (0.33) ALDH1A1HPGDKMT2ASMN1; SMN2LMNA
SCHEMBL10102780 0.81 ALDH1A1 (0.39) ALDH1A1HPGDKMT2ASMN1; SMN2ATM
SCHEMBL10102750 0.81 KMT2A (0.41) ALDH1A1KMT2ASMN1; SMN2RAB9ALMNA
SCHEMBL16882295 0.79 KMT2A (0.37) ALDH1A1KMT2ASMN1; SMN2ATMNPC1
SCHEMBL10102740 0.78 ALDH1A1 (0.44) ALDH1A1KMT2ASMN1; SMN2ATMLMNA
SCHEMBL11864925 0.74 ATM (0.36) ALDH1A1HPGDKMT2ASMN1; SMN2ATM
SCHEMBL10102722 0.73 MAPT (0.36) ALDH1A1KMT2ASMN1; SMN2ATMLMNA
SCHEMBL10102719 0.73 ATM (0.33) ALDH1A1KMT2ASMN1; SMN2ATMLMNA
SCHEMBL11859858 0.73 KMT2A (0.37) ALDH1A1KMT2ASMN1; SMN2ATMLMNA
SCHEMBL10102776 0.72 ATM (0.32) KMT2ASMN1; SMN2ATMLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2016-01-07 US disclosed
US-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2016-01-07 US disclosed
US-9073916-B2 Prodrug forms of kinase inhibitors and their use in therapy AUCKLAND UNISERVICES LIMITED (NZ) 2015-07-07 US disclosed
US-9073916-B2 Prodrug forms of kinase inhibitors and their use in therapy AUCKLAND UNISERVICES LIMITED (NZ) 2015-07-07 US disclosed
US-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2012-03-29 US disclosed
US-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2012-03-29 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-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K ALDH1A1 3257/4885HPGD 1243/4885KMT2A 1235/4885
US-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K ALDH1A1 3205/4885HPGD 703/4885KMT2A 1810/4885

“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.