SCHEMBL20533743

SCHEMBL20533743

NC(Cl)c1ncc(C(F)(F)F)cc1Cl.[H+]

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
MAPK1 P28482 1/20 0.52
ALDH1A1 P00352 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
GAA P10253 3/20 0.49
MEN1 O00255 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 1/20 0.48
PKM P14618 1/20 0.48
KDM4E B2RXH2 2/20 0.48
PLAU P00749 1/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.46
MAPT P10636 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL10611673 0.84 MAPK1 (0.56) KMT2AMAPK1ALDH1A1L3MBTL1GAA
SCHEMBL3370446 0.83 KMT2A (0.58) KMT2AMAPK1ALDH1A1L3MBTL1GAA
SCHEMBL14920646 0.80 KMT2A (0.56) KMT2AMAPK1ALDH1A1L3MBTL1GAA
SCHEMBL29858300 0.80 MAPK1 (0.50) KMT2AMAPK1ALDH1A1L3MBTL1GAA
SCHEMBL28824727 0.80 MAPK1 (0.50) KMT2AMAPK1ALDH1A1L3MBTL1GAA
SCHEMBL6017272 0.79 MAPK1 (0.52) KMT2AMAPK1ALDH1A1L3MBTL1GAA
SCHEMBL9967732 0.79 KMT2A (0.61) KMT2AMAPK1ALDH1A1L3MBTL1GAA
Hydrochloric Acid SCHEMBL784570 0.78 L3MBTL1 (0.59) KMT2AMAPK1ALDH1A1L3MBTL1GAA
SCHEMBL28895677 0.76 KMT2A (0.62) KMT2AMAPK1ALDH1A1L3MBTL1GAA
SCHEMBL784569 0.76 MAPK1 (0.52) KMT2AMAPK1ALDH1A1L3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10781176-B2 Catalytic hydrogenation of substituted cyanopyridines and process for preparing substituted pyridylmethylbenzamides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-09-22 US disclosed
US-10647674-B2 2020-05-12 US disclosed
US-20180297952-A1 CATALYTIC HYDROGENATION OF SUBSTITUTED CYANOPYRIDINES AND PROCESS FOR PREPARING SUBSTITUTED PYRIDYLMETHYLBENZAMIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-10-18 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 (3 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-10647674-B2 PYCR1, HCN4, PHYKPL KMT2A 1082/4885MAPK1 1585/4885ALDH1A1 3685/4885
US-20180297952-A1 CATALYTIC HYDROGENATION OF SUBSTITUTED CYANOPYRIDINES AND PROCESS FOR PREPARING SUBSTITUTED PYRIDYLMETHYLBENZAMIDES HCN4, PHYKPL, PYCR1 KMT2A 535/4885MAPK1 1769/4885ALDH1A1 3619/4885
US-10781176-B2 Catalytic hydrogenation of substituted cyanopyridines and process for preparing substituted pyridylmethylbenzamides HCN4, PHYKPL, PYCR1 KMT2A 535/4885MAPK1 1769/4885ALDH1A1 3619/4885

“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.