SCHEMBL30149153

SCHEMBL30149153

COc1ccc(C(F)(F)F)c2[nH]c(C(N)=O)c(C(F)(F)F)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.34
▸ MAPK10 P53779 1/20 0.34
▸ MAP2 P11137 2/20 0.33
▸ CCNC P24863 1/20 0.33
▸ CDK8 P49336 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ POLB P06746 4/20 0.33
▸ PKM P14618 2/20 0.33
▸ AR P10275 1/20 0.33
▸ KDM4E B2RXH2 4/20 0.33
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33

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
SCHEMBL30149138 0.77 ALDH1A1 (0.52) MAP2ARKDM4EMAPTALDH1A1
SCHEMBL29613820 0.72 KDM4E (0.54) MAPK8MAPK10CYP1A2CYP2C9CYP2C19
SCHEMBL15859711 0.67 L3MBTL1 (0.44) MAPK8MAPK10CYP1A2CYP2C9CYP2C19
SCHEMBL628125 0.65 MAPK1 (0.54) CYP1A2CYP2C9CYP2C19ARKDM4E
SCHEMBL1633542 0.64 CA12 (0.44) CYP1A2CYP2C9CYP2C19PKMKDM4E
Hydrochloric Acid SCHEMBL7840484 0.64 MAPK1 (0.53) CYP1A2CYP2C9CYP2C19ARKDM4E
SCHEMBL5500439 0.64 NNMT (0.41) MAPK8MAPK10CYP1A2CYP2C9CYP2C19
SCHEMBL10664081 0.64 L3MBTL1 (0.39) L3MBTL1KMT2AMAPTALDH1A1MEN1
SCHEMBL9388313 0.63 NQO2 (0.43) POLBARKDM4EL3MBTL1KMT2A
SCHEMBL9789186 0.62 CA12 (0.50) MAPK8MAPK10POLBKDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11541034-B2 Nitrile-containing antiviral compounds PFIZER INC. (US) 2023-01-03 — — 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-11541034-B2 Nitrile-containing antiviral compounds ACE2, NOS2, EIF2AK2 MAPK8 4415/4885MAPK10 3249/4885MAP2 4264/4885

“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.

Send feedback