SCHEMBL25818492

SCHEMBL25818492

NCCn1ccc2cncnc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 8/20 0.40
USP2 O75604 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
MEN1 O00255 1/20 0.39
CYP2D6 P10635 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.34
CLK4 Q9HAZ1 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
MKNK1 Q9BUB5 2/20 0.34
HSD17B10 Q99714 1/20 0.33
MTNR1A P48039 1/20 0.33
EGFR P00533 3/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
RPS6KA3 P51812 1/20 0.32
LCK P06239 1/20 0.31

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
SCHEMBL2173797 0.86 MKNK2 (0.40) MKNK2USP2CYP1A2CYP3A4CYP2C9
SCHEMBL13195335 0.83 MKNK2 (0.40) MKNK2CYP1A2IRAK4MKNK1MTNR1A
SCHEMBL24110604 0.79 HTR2C (0.47) MKNK2MTNR1AEGFR
SCHEMBL5068124 0.79 MKNK2 (0.42) MKNK2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL28212561 0.78 CYP1A2 (0.47) USP2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL30404228 0.76 HTR2C (0.52) CYP1A2CYP3A4CYP2C9
SCHEMBL25301570 0.76 HTR2C (0.52) CYP1A2CYP3A4CYP2C9
SCHEMBL24110230 0.76 HTR2C (0.52) CYP1A2CYP3A4CYP2C9
SCHEMBL28212072 0.75 CYP1A2 (0.45) USP2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL18926936 0.75 MKNK2 (0.39) MKNK2IRAK4MKNK1PRMT5WDR77

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-20230219969-A1 ISOTRYPTAMINE PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. 2023-07-13 US disclosed
US-20230219969-A1 ISOTRYPTAMINE PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. 2023-07-13 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-20230219969-A1 ISOTRYPTAMINE PSYCHOPLASTOGENS AND USES THEREOF GAP43, SLC18A2, PNMT MKNK2 1523/4885USP2 3937/4885CYP1A2 2412/4885

“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.