SCHEMBL22801065

SCHEMBL22801065

COc1cc(Nc2cccc(C(C)=O)c2)ccc1C#N

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 5/20 0.62
EGFR P00533 3/20 0.60
ERBB2 P04626 3/20 0.60
ALDH1A1 P00352 7/20 0.56
MAPT P10636 4/20 0.56
LMNA P02545 3/20 0.56
GAA P10253 1/20 0.56
POLB P06746 1/20 0.54
GFER P55789 1/20 0.54
IMPDH1 P20839 2/20 0.53
RAB9A P51151 2/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPC1 O15118 1/20 0.50

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
SCHEMBL6154479 0.81 IMPDH2 (0.60) IMPDH2EGFRERBB2ALDH1A1IMPDH1
SCHEMBL7293099 0.80 ALDH1A1 (0.56) IMPDH2ALDH1A1LMNAIMPDH1RAB9A
SCHEMBL22801110 0.78 KMT2A (0.54) EGFRERBB2ALDH1A1MAPTGAA
SCHEMBL11034676 0.76 ALDH1A1 (0.64) ALDH1A1MAPTLMNAGAARAB9A
SCHEMBL22801100 0.76 MEN1 (0.55) ALDH1A1MAPTLMNAGAARAB9A
SCHEMBL6382421 0.76 EGFR (1.00) EGFRERBB2
SCHEMBL7001839 0.74 ALDH1A1 (0.65) IMPDH2ALDH1A1LMNAIMPDH1MEN1
SCHEMBL5716429 0.74 IMPDH2 (0.73) IMPDH2ALDH1A1MAPTGAAPOLB
SCHEMBL5716434 0.74 IMPDH2 (0.72) IMPDH2ALDH1A1MAPTLMNAGAA
SCHEMBL13465390 0.74 RAB9A (0.55) ALDH1A1MAPTLMNAPOLBRAB9A

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-20200399264-A1 4-SUBSTITUTED-2-THIAZOLE AMIDES AS ANTIVIRAL AGENTS NATIONAL INSTITUTES OF HEALTH 2020-12-24 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-20200399264-A1 4-SUBSTITUTED-2-THIAZOLE AMIDES AS ANTIVIRAL AGENTS MAVS, ZC3HAV1, EIF2AK2 IMPDH2 321/4885EGFR 4152/4885ERBB2 2237/4885

“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.