SCHEMBL2975907

SCHEMBL2975907

COc1ccc[n+]([O-])c1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA12 O43570 1/20 0.43
CA4 P22748 1/20 0.43
CA14 Q9ULX7 1/20 0.43
IDO1 P14902 1/20 0.39
ALDH1A1 P00352 6/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
MAPK14 Q16539 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
TP53 P04637 2/20 0.36
TSHR P16473 1/20 0.36
ADRA2B P18089 1/20 0.36
PTGS1 P23219 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL2407907 0.75 MAPK14 (0.39) ALDH1A1KMT2ALMNAKDM4EMAPK14
SCHEMBL3986010 0.72 CA1 (0.44) CA1CA2CA7CA9CA12
SCHEMBL5944803 0.72 CA1 (0.44) CA1CA2CA7CA9CA12
SCHEMBL5214230 0.72 MAPK14 (0.40) IDO1ALDH1A1LMNAKDM4EMAPK14
SCHEMBL9522211 0.72 CA1 (0.44) CA1CA2CA7CA9CA12
SCHEMBL2985577 0.71 CYP2A6 (0.41) ALDH1A1LMNAKDM4EMAPK14TSHR
Hydrochloric Acid SCHEMBL8909847 0.70 HTR6 (0.38) CA1CA2CA7CA9CA12
SCHEMBL1114644 0.68 CA12 (0.39) CA1CA2CA7CA9CA12
1,2-Dimethoxybenzene SCHEMBL27452731 0.67 CA1 (0.93) CA1CA2CA7CA9CA12
SCHEMBL13470215 0.67 APP (0.44) CA1CA2CA7CA9CA12

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-20100286175-A1 2-(Pyridin-2-yl)-pyrimidines and Their Use for Controlling Harmful Fungi GRAMMENOS WASSILIOS 2010-11-11 US disclosed
US-7786043-B2 2-(pyridin-2-yl)-pyrimidines and their use for controlling harmful fungi BASF AKTIENGESELLSCHAFT (DE) 2010-08-31 US disclosed
US-20080027085-A1 2-(Pyridin-2-Yl)-Pyrimidines and Their Use for Controlling Harmful Fungi BASF AKTIENGESELLSCHAFT (DE) 2008-01-31 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 (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-20080027085-A1 2-(Pyridin-2-Yl)-Pyrimidines and Their Use for Controlling Harmful Fungi CBR1, CBR3, CNPY2 CA1 3979/4885CA2 1594/4885CA7 2555/4885
US-20100286175-A1 2-(Pyridin-2-yl)-pyrimidines and Their Use for Controlling Harmful Fungi CBR1, CBR3, CNPY2 CA1 3944/4885CA2 1621/4885CA7 2530/4885

“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.