SCHEMBL23768908

SCHEMBL23768908

Cc1cnc(O)c(C#N)c1C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
UPP1 Q16831 1/20 0.35
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CCR8 P51685 1/20 0.34
KDM4E B2RXH2 4/20 0.33
CDK4 P11802 1/20 0.33
CCND3 P30281 1/20 0.33
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
RECQL P46063 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
CACNA1B Q00975 1/20 0.30
APBA1 Q02410 1/20 0.30

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
SCHEMBL5379432 0.83 CDK4 (0.33) UPP1KDM4ECDK4CCND3MEN1
SCHEMBL17508477 0.80 MEN1 (0.32) UPP1CDK4CCND3MEN1KMT2A
SCHEMBL17508469 0.80 PLAU (0.36) UPP1KDM4ECDK4CCND3MEN1
SCHEMBL23754325 0.80 TTR (0.36) UPP1CDK4CCND3
SCHEMBL29269047 0.77 RECQL (0.38) UPP1KDM4ELMNASMN1; SMN2RECQL
SCHEMBL15894822 0.75 KDM4E (0.46) CCR1CCR5CCR8KDM4ECDK4
SCHEMBL11192626 0.75 CCR1 (0.34) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL26616004 0.73 HPGD (0.36) KDM4ELMNASMN1; SMN2MEN1KMT2A
SCHEMBL27223995 0.72 CSNK1A1 (0.38)
SCHEMBL6569026 0.71 ALDH1A1 (0.41) UPP1CCR1CCR5CCR8KDM4E

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-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-09-19 US disclosed
US-20210292301-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-09-23 US disclosed
WO-2021160718-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-08-19 WO 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-20210292301-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 UPP1 2401/4885CCR1 2060/4885CCR5 3371/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 UPP1 2401/4885CCR1 2060/4885CCR5 3371/4885

“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.