SCHEMBL1827337

SCHEMBL1827337

O=C(Cl)c1ccc(-n2cncn2)nc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
STING1 Q86WV6 1/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GLA P06280 1/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 3/20 0.35
KDM4E B2RXH2 4/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
GAA P10253 1/20 0.33
CYP3A4 P08684 1/20 0.32

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
Hydrochloric Acid SCHEMBL1827340 0.86 STING1 (0.43) SMN1; SMN2STING1LMNAALDH1A1MEN1
SCHEMBL1822893 0.79 LMNA (0.36) SMN1; SMN2STING1LMNAALDH1A1MEN1
SCHEMBL1822851 0.79 KDM4E (0.40) SMN1; SMN2STING1LMNAALDH1A1MEN1
SCHEMBL1825838 0.78 HPD (0.40) SMN1; SMN2STING1LMNA
SCHEMBL1826021 0.78 SMN1; SMN2 (0.36) SMN1; SMN2STING1LMNAALDH1A1GLA
SCHEMBL1822485 0.74 PDE2A (0.38) SMN1; SMN2STING1LMNAALDH1A1GLA
SCHEMBL1825085 0.74 MAPT (0.38) SMN1; SMN2STING1LMNAMEN1KMT2A
SCHEMBL2401819 0.73 LMNA (0.33) SMN1; SMN2LMNAALDH1A1HTTMAPT
SCHEMBL1824608 0.73 LMNA (0.33) SMN1; SMN2LMNAALDH1A1HTTMAPT
SCHEMBL2400982 0.73 MAPT (0.35) SMN1; SMN2STING1LMNAALDH1A1MEN1

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-8927458-B2 Herbicide triazolylpyridine ketones BAYER CROPSCIENCE AG (DE) 2015-01-06 US disclosed
US-8658798-B2 Herbicide triazolylpyridine ketones BAYER CROPSCIENCE AG (DE) 2014-02-25 US disclosed
US-20130296168-A1 HERBICIDE TRIAZOLYLPYRIDINE KETONES BAYER CROPSCIENCE AG (DE) 2013-11-07 US disclosed
US-20110237800-A1 HERBICIDE TRIAZOLYLPYRIDINE KETONES BAYER CROPSCIENCE AG (DE) 2011-09-29 US disclosed
EP-2185536-B1 HERBICIDE TRIAZOLYLPYRIDINE KETONES BAYER CROPSCIENCE AG (DE) 2011-05-04 EP disclosed
CN-101809013-A herbicide triazolylpyridine ketones BAYER CROPSCIENCE AG 2010-08-18 CN 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-20130296168-A1 HERBICIDE TRIAZOLYLPYRIDINE KETONES DDT, PDK4, BCKDK SMN1; SMN2 4529/4885STING1 4334/4885LMNA 4818/4885
US-20110237800-A1 HERBICIDE TRIAZOLYLPYRIDINE KETONES DDT, PDK4, BCKDK SMN1; SMN2 4574/4885STING1 4479/4885LMNA 4780/4885

“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.