SCHEMBL26580968

SCHEMBL26580968

Cc1nc(N2CCN(C)CC2)nc(C)c1C

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 10/20 0.55
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
TP53 P04637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTR3A P46098 1/20 0.43

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
SCHEMBL27082996 0.83 HRH4 (0.59) HRH4KMT2AHTR3A
SCHEMBL20604725 0.83 KMT2A (0.56) HRH4KMT2ANPSR1TP53HSD17B10
SCHEMBL26037956 0.83 HRH4 (0.61) HRH4KMT2AHTR3A
SCHEMBL15246924 0.81 ALDH1A1 (0.52) KMT2ATP53
SCHEMBL23809147 0.79 HRH4 (0.53) HRH4KMT2ANPSR1TP53HSD17B10
SCHEMBL22924654 0.79 HRH4 (0.74) HRH4KMT2ANPSR1TP53HSD17B10
SCHEMBL12257800 0.79 HRH4 (0.74) HRH4KMT2ANPSR1TP53HSD17B10
SCHEMBL20604872 0.78 HRH4 (0.47) HRH4KMT2ANPSR1TP53HSD17B10
SCHEMBL8171578 0.76 HRH4 (0.65) HRH4KMT2ANPSR1HSD17B10HTR3A
SCHEMBL9488077 0.76 HRH1 (0.59) KMT2AHSD17B10

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-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-10-19 US disclosed
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-10-19 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-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 HRH4 4602/4885KMT2A 824/4885NPSR1 4472/4885

“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.