SCHEMBL10102780

SCHEMBL10102780

CCc1nc([N+](=O)[O-])c(CO)n1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
LMNA P02545 5/20 0.39
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
CYP2C19 P33261 3/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
JAK2 O60674 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
HPGD P15428 1/20 0.39
ATM Q13315 1/20 0.34
BLM P54132 1/20 0.33
KDM4E B2RXH2 2/20 0.32
F2R P25116 1/20 0.32
F2RL3 Q96RI0 1/20 0.32
THRB P10828 1/20 0.30
TSHR P16473 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
SCHEMBL10102781 0.83 MAPT (0.39) ALDH1A1LMNAMAPTSMN1; SMN2CYP2C19
SCHEMBL10102747 0.81 ALDH1A1 (0.36) ALDH1A1LMNAMAPTSMN1; SMN2CYP2C19
SCHEMBL10102740 0.79 ALDH1A1 (0.44) ALDH1A1LMNAMAPTSMN1; SMN2HTT
SCHEMBL10102782 0.79 KMT2A (0.39) ALDH1A1LMNAMAPTSMN1; SMN2CYP2C19
SCHEMBL11864925 0.79 ATM (0.36) ALDH1A1LMNAMAPTSMN1; SMN2CYP2C19
SCHEMBL10102722 0.78 MAPT (0.36) ALDH1A1LMNAMAPTSMN1; SMN2CYP2C19
SCHEMBL6036603 0.75 MAPT (0.36) ALDH1A1LMNAMAPTSMN1; SMN2CYP2C19
SCHEMBL10102723 0.75 ATM (0.33) ALDH1A1LMNAMAPTSMN1; SMN2CYP2C19
SCHEMBL16882295 0.74 KMT2A (0.37) ALDH1A1LMNAMAPTSMN1; SMN2HTT
SCHEMBL10108151 0.74 ATM (0.33) ALDH1A1LMNAMAPTSMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406262-B1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LTD (NZ) 2016-02-17 EP disclosed
US-20160031877-A1 KINASE INHIBITORS, PRODRUG FORMS THEREOF AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2016-02-04 US disclosed
US-20160031877-A1 KINASE INHIBITORS, PRODRUG FORMS THEREOF AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2016-02-04 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-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2016-01-07 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-9101632-B2 Kinase inhibitors, prodrug forms thereof and their use in therapy AUCKLAND UNISERVICES LIMITED (NZ) 2015-08-11 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-20120202832-A1 KINASE INHIBITORS, PRODRUG FORMS THEREOF AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2012-08-09 US disclosed
US-20120202832-A1 KINASE INHIBITORS, PRODRUG FORMS THEREOF AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2012-08-09 US disclosed
US-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2012-03-29 US disclosed
WO-2011028135-A1 KINASE INHIBITORS, PRODRUG FORMS THEREOF AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2011-03-10 WO disclosed
WO-2010104406-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2010-09-16 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 (4 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 3257/4885LMNA 1423/4885MAPT 3315/4885
US-20160031877-A1 KINASE INHIBITORS, PRODRUG FORMS THEREOF AND THEIR USE IN THERAPY ERBB2, MAP3K3, ERBB3 ALDH1A1 2362/4885LMNA 2257/4885MAPT 4568/4885
US-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K ALDH1A1 3205/4885LMNA 1877/4885MAPT 3259/4885
US-20120202832-A1 KINASE INHIBITORS, PRODRUG FORMS THEREOF AND THEIR USE IN THERAPY ERBB2, MAP3K3, MAP3K19 ALDH1A1 2355/4885LMNA 2060/4885MAPT 4501/4885

“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.