SCHEMBL23088486

SCHEMBL23088486

COc1ccnc(-c2c(C(N)=O)nnn2C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.47
▸ CCR5 P51681 1/20 0.47
▸ CCR8 P51685 1/20 0.47
▸ PLAU P00749 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.41
▸ PARP1 P09874 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NOS3 P29474 2/20 0.39
▸ NOS1 P29475 2/20 0.39
▸ NOS2 P35228 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ IKBKB O14920 1/20 0.38
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KDM5A P29375 1/20 0.37
▸ KDM2B Q8NHM5 1/20 0.37
▸ KDM4C Q9H3R0 1/20 0.37
▸ KDM5B Q9UGL1 1/20 0.37
▸ CA1 P00915 1/20 0.37

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
SCHEMBL14154661 0.77 ALDH1A1 (0.49) PARP1ALDH1A1GAAIKBKBRAB9A
SCHEMBL23088484 0.72 NR1I2 (0.42) PLAUKDM4EHTTNOS3NOS1
SCHEMBL2624147 0.71 KDM4E (0.54) CCR1CCR5CCR8PLAUKDM4E
SCHEMBL29395249 0.68 CCR1 (1.00) CCR1CCR5CCR8PLAUNOS3
SCHEMBL182529 0.68 CCR1 (1.00) CCR1CCR5CCR8PLAUNOS3
SCHEMBL23830215 0.68 MKNK1 (0.39) KDM4EALDH1A1CA1CA2CA4
SCHEMBL14154662 0.67 ALDH1A1 (0.52) KDM4EALDH1A1GAAIKBKBSMN1; SMN2
SCHEMBL23830158 0.67 MEN1 (0.41) KDM4EALDH1A1CA1CA2CA4
SCHEMBL23830181 0.67 MKNK1 (0.50) KDM4ECA1CA2CA4CA9
Methane SCHEMBL21386924 0.66 CCR1 (0.95) CCR1CCR5CCR8PLAUNOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787796-B2 Plasma Kallikrein inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-17 — — US disclosed
US-20210078999-A1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF CHARLES RIVER LABORATORIES, INC. 2021-03-18 — — 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-11787796-B2 Plasma Kallikrein inhibitors and uses thereof KLKB1, KLK1, KLK5 CCR1 1615/4885CCR5 1737/4885CCR8 1356/4885
US-20210078999-A1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF KLKB1, KLK1, KLK5 CCR1 1615/4885CCR5 1737/4885CCR8 1356/4885

“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