SCHEMBL3474935

SCHEMBL3474935

C[C@@H](Oc1cncc(Cl)n1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.40
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 2/20 0.37
LMNA P02545 1/20 0.37
ACP3 P15309 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ADRA2A P08913 3/20 0.36
ADRA2B P18089 3/20 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
SCHEMBL3474936 1.00 HTR2C (0.40) HTR2CMEN1HPGDKMT2AL3MBTL1
SCHEMBL3473192 0.79 HTR2C (0.43) HTR2CALDH1A1CYP3A4CYP2D6SLC6A2
SCHEMBL3473189 0.79 HTR2C (0.43) HTR2CALDH1A1CYP3A4CYP2D6SLC6A2
SCHEMBL3266330 0.79 HTR2C (0.60) HTR2CSLC6A4
SCHEMBL31080147 0.78 NUDT1 (0.43) HTR2CALDH1A1SLC6A4ADRA2AADRA2B
SCHEMBL11378027 0.76 NTRK1 (0.47) MEN1KMT2AALDH1A1TDP1MAPT
SCHEMBL31080061 0.74 HDAC1 (0.42) HTR2CSMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL11208136 0.72 TSHR (0.53) MEN1HPGDKMT2AL3MBTL1ALDH1A1
SCHEMBL30780978 0.72 TSHR (0.53) MEN1HPGDKMT2AL3MBTL1ALDH1A1
SCHEMBL7788899 0.72 TSHR (0.53) MEN1HPGDKMT2AL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2848610-B1 Inhibitors of kinase activity YM BIOSCIENCES AUSTRALIA PTY (AU) 2017-10-11 EP disclosed
EP-3048099-A2 INHIBITORS OF KINASE ACTIVITY YM BioSciences Australia Pty Ltd (AU) 2016-07-27 EP disclosed
US-9029386-B2 Pyridine derivatives useful as kinase inhibitors GILEAD SCIENCES, INC. (US) 2015-05-12 US disclosed
EP-2848610-A1 Inhibitors of kinase activity YM BioSciences Australia Pty Ltd (AU) 2015-03-18 EP disclosed
US-8461161-B2 Substituted pyrazines as inhibitors of kinase activity YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2013-06-11 US disclosed
US-20130137660-A1 INHIBITORS OF KINASE ACTIVITY YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2013-05-30 US disclosed
US-20100130447-A1 INHIBITORS OF KINASE ACTIVITY YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2010-05-27 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-20130137660-A1 INHIBITORS OF KINASE ACTIVITY FRK, LCK, FLT3 HTR2C 1061/4885MEN1 3123/4885HPGD 4107/4885
US-20100130447-A1 INHIBITORS OF KINASE ACTIVITY FRK, LCK, FLT3 HTR2C 1061/4885MEN1 3123/4885HPGD 4107/4885

“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.