SCHEMBL2116320

SCHEMBL2116320

Cn1nnnc1-c1ccc2cc(-c3cccs3)cc(-c3cccc4ccccc34)c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.45
HTT P42858 2/20 0.38
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 8/20 0.34
KDM4E B2RXH2 5/20 0.34
LMNA P02545 3/20 0.34
HTR2A P28223 1/20 0.34
PIM1 P11309 1/20 0.34
MAPT P10636 4/20 0.34
RAB9A P51151 3/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
PLAUR Q03405 3/20 0.34
TSHR P16473 1/20 0.33
TACR3 P29371 1/20 0.33

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
SCHEMBL2117060 0.78 GSTM2 (0.38) KMT2AALDH1A1KDM4EPIM1MAPT
SCHEMBL3399048 0.74 PIM1 (0.41) HTTALDH1A1KDM4ELMNAPIM1
SCHEMBL2116537 0.74 PIM1 (0.50) HTTKMT2AALDH1A1KDM4ELMNA
SCHEMBL2118764 0.73 FDPS (0.46) HTTKMT2AALDH1A1KDM4ELMNA
SCHEMBL2119059 0.72 FDPS (0.45) HTTKMT2AALDH1A1KDM4ELMNA
Lithium SCHEMBL2119069 0.72 FDPS (0.45) HTTKMT2AALDH1A1KDM4ELMNA
SCHEMBL2116012 0.72 PIM1 (0.39) HTTKMT2AALDH1A1KDM4ELMNA
SCHEMBL2116560 0.72 KMT2A (0.45) KMT2AALDH1A1KDM4EMAPTRAB9A
Lithium Ion SCHEMBL2119062 0.71 PIM1 (0.39) HTTKMT2AALDH1A1KDM4ELMNA
SCHEMBL2116292 0.70 KDM4E (0.37) HTTKMT2AALDH1A1KDM4ELMNA

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-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2012-04-19 US claimed
EP-2250152-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE Novartis AG (CH) 2010-11-17 EP claimed
WO-2009106586-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2009-09-03 WO claimed
US-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2012-04-19 US disclosed
EP-2250152-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE Novartis AG (CH) 2010-11-17 EP disclosed
WO-2009106586-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2009-09-03 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 (1 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-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE FDPS, GGPS1, CTPS1 HTR2C 4695/4885HTT 4416/4885KMT2A 3963/4885

“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.