SCHEMBL25848348

SCHEMBL25848348

CCc1ccn2nc(C(C)C)nc2c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2A6 P11509 1/20 0.34
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 2/20 0.33
PKM P14618 2/20 0.33
KLF5 Q13887 2/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
HTR6 P50406 1/20 0.30
NR1H4 Q96RI1 1/20 0.30
AHR P35869 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
SCHEMBL798669 0.78 AHR (0.33) NAMPTKDM4ENPC1RAB9AAHR
SCHEMBL18626423 0.77 HAVCR2 (0.39) NAMPTCYP1A2KDM4EAHR
SCHEMBL23761312 0.77 PIK3CG (0.45) CYP1A2KDM4ENPC1PKMKLF5
SCHEMBL9108919 0.77 PIK3CG (0.35) NAMPTKDM4ENPC1MAPTRAB9A
SCHEMBL9109466 0.77 AHR (0.53) NAMPTAHR
SCHEMBL26008734 0.75 PIK3CG (0.30)
SCHEMBL25825583 0.74 PDE10A (0.32) NAMPTAHR
SCHEMBL25848350 0.71 NAMPT (0.30) NAMPT
SCHEMBL6900236 0.70 JAK2 (0.46) NAMPTCYP1A2KDM4ENPC1
SCHEMBL24782813 0.68 KDM4E (0.47) CYP1A2CYP2A6KDM4ENPC1PKM

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219927-A1 AKT3 MODULATORS Georgiamune 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-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA NAMPT 1361/4885CYP1A2 3528/4885CYP2A6 2978/4885

“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.