SCHEMBL21101647

SCHEMBL21101647

Cc1ccnc(-c2ccc(C#N)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.55
CCR5 P51681 1/20 0.55
CCR8 P51685 1/20 0.55
CYP2A6 P11509 2/20 0.49
GAA P10253 1/20 0.47
GRM5 P41594 2/20 0.47
ALDH1A1 P00352 1/20 0.47
EGLN2 Q96KS0 4/20 0.47
TGFBR1 P36897 1/20 0.46
MAPKAPK2 P49137 2/20 0.45
CYP11B2 P19099 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MYC P01106 1/20 0.41
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
USP30 Q70CQ3 1/20 0.41
METAP2 P50579 1/20 0.41
ALDH1A3 P47895 1/20 0.41

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
SCHEMBL31695263 0.84 CCR1 (0.76) CCR1CCR5CCR8CYP2A6TGFBR1
SCHEMBL27344644 0.84 CCR1 (0.76) CCR1CCR5CCR8CYP2A6TGFBR1
SCHEMBL28533733 0.82 ALDH1A1 (0.47) CCR1CCR5CCR8CYP2A6GAA
SCHEMBL15344138 0.81 CLK4 (0.56) CCR1CCR5CCR8CYP2A6GRM5
SCHEMBL6807225 0.81 CCR1 (0.70) CCR1CCR5CCR8CYP2A6GAA
SCHEMBL29463685 0.81 CCR1 (0.70) CCR1CCR5CCR8CYP2A6GAA
SCHEMBL23355950 0.79 TGFBR1 (0.46) GAAGRM5EGLN2TGFBR1MAPKAPK2
SCHEMBL25735633 0.76 GABRA1 (0.60) GRM5TGFBR1MAPKAPK2CYP11B2MYC
SCHEMBL21125496 0.76 CYP11B2 (0.49) CCR1CCR5CCR8CYP2A6EGLN2
SCHEMBL2190158 0.76 CYP2A6 (0.62) CCR1CCR5CCR8CYP2A6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220177451-A1 1-CYANO-PYRROLIDINE DERIVATIVES AS DUB INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2022-06-09 US disclosed
US-11352339-B2 1-cyano-pyrrolidine derivatives as DUB inhibitors MISSION THERAPEUTICS LIMITED (GB) 2022-06-07 US disclosed
US-20200331888-A1 1-CYANO-PYRROLIDINE DERIVATIVES AS DUB INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2020-10-22 US disclosed
EP-2804859-B1 NOVEL FAP INHIBITORS UNIV ANTWERPEN (BE) 2019-06-12 EP 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 (3 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-11352339-B2 1-cyano-pyrrolidine derivatives as DUB inhibitors USP30, USP28, USP1 CCR1 2448/4885CCR5 4138/4885CCR8 4163/4885
US-20220177451-A1 1-CYANO-PYRROLIDINE DERIVATIVES AS DUB INHIBITORS USP30, USP28, USP1 CCR1 2448/4885CCR5 4138/4885CCR8 4163/4885
US-20200331888-A1 1-CYANO-PYRROLIDINE DERIVATIVES AS DUB INHIBITORS USP30, USP28, USP1 CCR1 2448/4885CCR5 4138/4885CCR8 4163/4885

“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.