SCHEMBL16403544

SCHEMBL16403544

C#Cc1c(C)nc2c(OCc3c(F)cccc3F)cc(C)cn12

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GUCY1B2 O75343 14/20 0.45
GUCY1A2 P33402 14/20 0.45
GUCY1A1 Q02108 14/20 0.45
GUCY1B1 Q02153 14/20 0.45
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL16402956 0.90 GUCY1B2 (0.46) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP1A2
SCHEMBL16403518 0.86 GUCY1B2 (0.43) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP1A2
SCHEMBL18570193 0.85 GUCY1B2 (0.42) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP1A2
SCHEMBL19414210 0.85 GUCY1B2 (0.42) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL16402699 0.85 GUCY1B2 (0.57) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP1A2
SCHEMBL18570328 0.85 CYP3A4 (0.52) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP1A2
SCHEMBL16403535 0.83 GUCY1B2 (0.45) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP1A2
SCHEMBL20528787 0.83 ATP4A (0.46) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP1A2
SCHEMBL19492087 0.81 GUCY1B2 (0.43) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP1A2
SCHEMBL19012013 0.81 ATP4A (0.48) GUCY1B2GUCY1A2GUCY1A1GUCY1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9776997-B2 3-aryl-substituted imidazo[1,2-A]pyridines and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-10-03 US disclosed
US-9776997-B2 3-aryl-substituted imidazo[1,2-A]pyridines and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-10-03 US disclosed
US-9776997-B2 3-aryl-substituted imidazo[1,2-A]pyridines and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-10-03 US disclosed
EP-3004094-B1 3-ARYL-SUBSTITUTED IMIDAZO[1,2-A]PYRIDINES AND THE USE THEREOF Bayer Pharma AG (DE) 2017-03-01 EP disclosed
EP-3004094-B1 3-ARYL-SUBSTITUTED IMIDAZO[1,2-A]PYRIDINES AND THE USE THEREOF Bayer Pharma AG (DE) 2017-03-01 EP disclosed
US-20160122341-A1 3-ARYL-SUBSTITUTED IMIDAZO[1,2-A]PYRIDINES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-05 US disclosed
US-20160122341-A1 3-ARYL-SUBSTITUTED IMIDAZO[1,2-A]PYRIDINES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-05 US disclosed
US-20160122341-A1 3-ARYL-SUBSTITUTED IMIDAZO[1,2-A]PYRIDINES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-05 US disclosed
EP-3004094-A1 3-ARYL-SUBSTITUTED IMIDAZO[1,2-A]PYRIDINES AND THE USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2016-04-13 EP disclosed
WO-2014195333-A1 3-ARYL-SUBSTITUTED IMIDAZO[1,2-A]PYRIDINES AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-12-11 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-20160122341-A1 3-ARYL-SUBSTITUTED IMIDAZO[1,2-A]PYRIDINES AND THEIR USE PNPO, PAH, TNNI3 GUCY1B2 1428/4885GUCY1A2 716/4885GUCY1A1 1083/4885

“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.