SCHEMBL23458074

SCHEMBL23458074

Cc1ccc(-n2cnc(CO)c2C)nc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CCR8 P51685 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
RAB9A P51151 3/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
PKM P14618 1/20 0.34
STAT3 P40763 1/20 0.34
STAT1 P42224 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DHFR P00374 1/20 0.34
PDE10A Q9Y233 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
SCHEMBL11101297 0.71 FGFR1 (0.47) ALDH1A1
SCHEMBL23458100 0.71 ALDH1A1 (0.43) HDAC6KDM4EALDH1A1NOTUMADRA2A
SCHEMBL23458065 0.71 KMT2A (0.35) CCR1CCR5CCR8HDAC6RAB9A
SCHEMBL23481299 0.71 CCR1 (0.34) CCR1CCR5CCR8HDAC6RAB9A
SCHEMBL23458243 0.71 GABRG2 (0.43) RAB9ANPC1TP53SMN1; SMN2MAPT
SCHEMBL11047604 0.70 HCAR1 (0.45) MAPTKDM4EALDH1A1NOTUMHTR1A
SCHEMBL11051880 0.69 ALDH1A1 (0.47) TP53SMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL23457996 0.68 GRIN2D (0.32) CCR1CCR5CCR8HDAC6GRIN2D
SCHEMBL11050864 0.67 HCAR1 (0.46) TP53SMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL21621663 0.66 ALDH1A1 (0.41) TP53MAPTKDM4EALDH1A1KMT2A

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-12528784-B2 Alkynyl-(heteroaryl)-carboxamide HCN1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2026-01-20 US disclosed
EP-4069685-A1 ALKYNYL-(HETEROARYL)-CARBOXAMIDE HCN1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2022-10-12 EP disclosed
US-20220306607-A1 ALKYNYL-(HETEROARYL)-CARBOXAMIDE HCN1 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2022-09-29 US disclosed
WO-2021110574-A1 ALKYNYL-(HETEROARYL)-CARBOXAMIDE HCN1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2021-06-10 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-12528784-B2 Alkynyl-(heteroaryl)-carboxamide HCN1 inhibitors HCN1, HCN2, HCN3 CCR1 59/4885CCR5 269/4885CCR8 887/4885
US-20220306607-A1 ALKYNYL-(HETEROARYL)-CARBOXAMIDE HCN1 INHIBITORS HCN1, HCN2, HCN3 CCR1 1044/4885CCR5 1477/4885CCR8 2707/4885

“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.