SCHEMBL3750094

SCHEMBL3750094

COC(=O)c1c(C)cc(-c2cccc(OC)c2F)nc1Cl

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.48
ADORA1 P30542 3/20 0.48
PFKFB3 Q16875 2/20 0.43
ADORA3 P0DMS8 6/20 0.41
ADORA2B P29275 2/20 0.41
POLQ O75417 1/20 0.40
DHODH Q02127 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ERN1 O75460 1/20 0.39
FYN P06241 1/20 0.38

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
SCHEMBL3753312 0.86 ADORA2A (0.43) ADORA2AADORA1PFKFB3ADORA3ADORA2B
SCHEMBL8218304 0.83 LMNA (0.43) ADORA2AADORA1ADORA3MEN1KMT2A
SCHEMBL23943222 0.81 CD274 (0.46) ADORA2AADORA1POLQDHODHFYN
SCHEMBL3752597 0.78 ADORA2A (0.41) ADORA2AADORA1ADORA3ADORA2BDHODH
SCHEMBL3752403 0.78 ADORA2A (0.41) ADORA2AADORA1PFKFB3ADORA3DHODH
SCHEMBL3757598 0.77 ADORA2A (0.39) ADORA2AADORA1PFKFB3ADORA3ADORA2B
SCHEMBL8213830 0.75 ADORA2A (0.39) ADORA2AADORA1DHODHKMT2A
SCHEMBL3755649 0.74 DHODH (0.47) ADORA2AADORA1DHODH
SCHEMBL3763504 0.72 AAK1 (0.39) ADORA2AADORA1DHODHFYN
SCHEMBL18835664 0.70 KDM4E (0.38) ADORA2AMEN1KMT2A

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-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-25 US disclosed
US-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-25 US disclosed
US-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-25 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 (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-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF NAPRT, PNPO, FABP3 ADORA2A 509/4885ADORA1 454/4885PFKFB3 796/4885

“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.