SCHEMBL21396879

SCHEMBL21396879

Cn1ncc2c1CNc1ccccc1N2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
TSPO P30536 1/20 0.33
GSK3B P49841 1/20 0.31
RIPK1 Q13546 1/20 0.31
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
HIF1A Q16665 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
IDO1 P14902 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
SCHEMBL1496015 0.75 TSPO (0.48) BRPF1TSPOALOX15HSD17B10GAA
Hydrochloric Acid SCHEMBL25255088 0.74 TSPO (0.47) BRPF1TSPOALOX15HSD17B10HTR5A
SCHEMBL21396899 0.71 HTR5A (0.45) BRPF1TSPOBRD4CREBBPALOX15
Phosphoric Acid SCHEMBL25258829 0.70 TSPO (0.49) TSPO
SCHEMBL10918159 0.68 HIF1A (0.45) MEN1KMT2ATP53CASP1CASP7
SCHEMBL21379217 0.66 GAA (0.36) BRPF1MEN1KMT2ATSPOALDH1A1
SCHEMBL14316163 0.66 HIF1A (0.42) BRPF1TSPOGSK3BALOX15HSD17B10
Cadaverine Tartrate SCHEMBL25302081 0.66 TSPO (0.47) TSPOALOX15
SCHEMBL310398 0.64 HTR5A (0.57) MEN1KMT2ABRD4CREBBPALOX15
SCHEMBL14027651 0.64 BRPF1 (0.51) BRPF1TSPOBRD4ALOX15HSD17B10

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-11033555-B2 Therapeutic compounds and compositions for treating social disorders and substance use disorders Kinoxis Therapeutics Pty Ltd (AU) 2021-06-15 US disclosed
US-20190290658-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS FOR TREATING SOCIAL DISORDERS AND SUBSTANCE USE DISORDERS Kinoxis Therapeutics Pty Ltd (AU) 2019-09-26 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-20190290658-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS FOR TREATING SOCIAL DISORDERS AND SUBSTANCE USE DISORDERS SLC18A2, SLC6A3, CES2 BRPF1 4037/4885MEN1 3944/4885KMT2A 2423/4885
US-11033555-B2 Therapeutic compounds and compositions for treating social disorders and substance use disorders SLC18A2, SLC6A3, CES2 BRPF1 4037/4885MEN1 3944/4885KMT2A 2423/4885

“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.