SCHEMBL30928708

SCHEMBL30928708

CCCC[Sn](CCCC)(CCCC)c1cnc2n1CCOC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 1/20 0.32
GRM5 P41594 1/20 0.32
MAPK1 P28482 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
HTR2A P28223 1/20 0.32
SCN1A P35498 1/20 0.32
HTR2B P41595 1/20 0.32
KCNH2 Q12809 1/20 0.32
SCN2A Q99250 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
SCN3A Q9NY46 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
USP2 O75604 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
SCHEMBL23707053 0.71 CPB2 (0.39) NPC1TP53TSHRRAB9APOLB
SCHEMBL21410505 0.71 P2RX7 (0.36)
SCHEMBL30928762 0.69 NPC1 (0.33) NPC1TP53TSHRRAB9APOLB
SCHEMBL19738020 0.69 ALDH1A1 (0.35) TP53POLBGRM5MAPK1ALDH1A1
SCHEMBL5254451 0.68 ALDH1A1 (0.42) TSHRPOLBMAPK1ALDH1A1CYP1A2
SCHEMBL9840206 0.67
SCHEMBL9839144 0.66 SIGMAR1 (0.37) RAB9AMAPK1HTR2AHTR2BSIGMAR1
SCHEMBL20360628 0.65 P2RX7 (0.32) NPC1TP53TSHRRAB9APOLB
SCHEMBL24656057 0.65 PIK3CA (0.33) NPC1RAB9APOLBGRM5ALDH1A1
SCHEMBL20370769 0.65 ALDH1A1 (0.32) POLBALDH1A1LMNA

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-20240182460-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PETRA PHARMA CORPORATION 2024-06-06 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-20240182460-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PIK3CA, PIK3R4, PIK3R5 NPC1 1551/4885TP53 1819/4885TSHR 407/4885

“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.