SCHEMBL789990

SCHEMBL789990

C=CCN(C(=O)c1ccc(Cl)nc1)c1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
TSHR P16473 2/20 0.43
GAA P10253 2/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
POLB P06746 1/20 0.40
MDM2 Q00987 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 1/20 0.39
PDK1 Q15118 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
CYP2A6 P11509 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
LMNA P02545 1/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
KDR P35968 1/20 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
SCHEMBL790267 0.84 HTT (0.64) HTTTSHRGAAKMT2AMEN1
SCHEMBL790701 0.81 HTT (0.44) HTTTSHRGAAKMT2AMEN1
SCHEMBL13095733 0.79 TSHR (0.41) HTTTSHRGAAKMT2AMEN1
SCHEMBL790737 0.77 TRPV1 (0.55) HTTTSHRKMT2AMEN1MDM2
SCHEMBL12978218 0.76 HTT (0.39) HTTTSHRGAAKMT2AMEN1
SCHEMBL790239 0.76 PDK1 (0.40) HTTTSHRKMT2AMEN1L3MBTL1
SCHEMBL790234 0.71 HTT (0.67) HTTTSHRGAAKMT2AMEN1
SCHEMBL13095774 0.70 HTT (0.65) HTTTSHRGAAKMT2AMEN1
SCHEMBL3205413 0.69 HTT (0.49) HTTTSHRGAAKMT2AMEN1
SCHEMBL18228607 0.69 NAPRT (0.55) GAAKMT2AMEN1NAPRTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2615917-A2 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS III BASF SE (DE) 2013-07-24 EP disclosed
US-20130180014-A1 Pyridine Compounds for Controlling Invertebrate Pests III BASF SE (DE) 2013-07-11 US disclosed
WO-2012034959-A2 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS III BASF SE (DE) 2012-03-22 WO disclosed
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides BAYER CROPSCIENCE AG (DE) 2010-12-02 US disclosed
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides BAYER CROPSCIENCE AG (DE) 2010-12-02 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-20130180014-A1 Pyridine Compounds for Controlling Invertebrate Pests III CHRM1, CHRM2, GRIN2C HTT 1901/4885TSHR 1290/4885GAA 4836/4885
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR HTT 2101/4885TSHR 2740/4885GAA 2373/4885

“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.