SCHEMBL17028964

SCHEMBL17028964

Cc1nc2c(OCc3c(F)ccc(F)c3F)cccn2c1C#N

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GUCY1B2 O75343 9/20 0.52
GUCY1A2 P33402 9/20 0.52
GUCY1A1 Q02108 9/20 0.52
GUCY1B1 Q02153 9/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 1/20 0.52
ATP4A P20648 2/20 0.47
ATP4B P51164 2/20 0.47
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL16403246 0.91 GUCY1B2 (0.58) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP1A2
SCHEMBL15630797 0.82 GUCY1B2 (0.62) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL17028950 0.81 GUCY1B2 (0.54) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL16402699 0.80 GUCY1B2 (0.57) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP1A2
SCHEMBL17028936 0.79 GUCY1B2 (0.55) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL17028939 0.79 GUCY1B2 (0.53) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL15630778 0.79 SMN1; SMN2 (0.60) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL17028948 0.79 ATP4A (0.72) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL16402969 0.77 GUCY1B2 (0.54) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP1A2
SCHEMBL17717804 0.77 GUCY1B2 (0.52) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3107920-B1 3-(PYRIMIDINE-2-YL)IMIDAZO[1,2-A]PYRIDINES Bayer Pharma AG (DE) 2017-10-18 EP disclosed
EP-3107920-B1 3-(PYRIMIDINE-2-YL)IMIDAZO[1,2-A]PYRIDINES Bayer Pharma AG (DE) 2017-10-18 EP disclosed
US-9688699-B2 3-(pyrimidine-2-yl)imidazo[1,2-a]pyridines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-27 US disclosed
US-9688699-B2 3-(pyrimidine-2-yl)imidazo[1,2-a]pyridines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-27 US disclosed
US-9688699-B2 3-(pyrimidine-2-yl)imidazo[1,2-a]pyridines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-27 US disclosed
EP-3107920-A1 3-(PYRIMIDINE-2-YL)IMIDAZO[1,2-A]PYRIDINES Bayer Pharma Aktiengesellschaft (DE) 2016-12-28 EP disclosed
US-20160347770-A1 3-(PYRIMIDINE-2-YL)IMIDAZO[1,2-A]PYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-01 US disclosed
US-20160347770-A1 3-(PYRIMIDINE-2-YL)IMIDAZO[1,2-A]PYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-01 US disclosed
US-20160347770-A1 3-(PYRIMIDINE-2-YL)IMIDAZO[1,2-A]PYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-01 US disclosed
WO-2015124544-A1 3-(PYRIMIDINE-2-YL)IMIDAZO[1,2-A]PYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-08-27 WO disclosed
WO-2015124544-A1 3-(PYRIMIDINE-2-YL)IMIDAZO[1,2-A]PYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-08-27 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-20160347770-A1 3-(PYRIMIDINE-2-YL)IMIDAZO[1,2-A]PYRIDINES TPMT, PNPO, PDXK GUCY1B2 1123/4885GUCY1A2 676/4885GUCY1A1 1328/4885

“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.