SCHEMBL24378624

SCHEMBL24378624

COCc1cc(-c2cccc(C)c2)nn1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.45
CYP11B2 P19099 2/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSD11B1 P28845 1/20 0.41
TLR8 Q9NR97 1/20 0.41
IDO1 P14902 1/20 0.39
METAP2 P50579 1/20 0.39
ESRRA P11474 1/20 0.38
ASH1L Q9NR48 1/20 0.38
GRM2 Q14416 1/20 0.38
XDH P47989 1/20 0.38
SRC P12931 1/20 0.37

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
SCHEMBL27009180 0.82 NPC1 (0.41) NPC1RAB9AKDM4EALDH1A1NFKB1
SCHEMBL23773347 0.79 CYP11B1 (0.45) CYP11B1CYP11B2NPC1RAB9AKDM4E
SCHEMBL24378498 0.77 KDM4E (0.49) CYP11B1CYP11B2NPC1RAB9AKDM4E
SCHEMBL19936645 0.77 ESRRA (0.41) CYP11B1CYP11B2KDM4ESMN1; SMN2L3MBTL1
SCHEMBL23685707 0.76 RAB9A (0.55) NPC1RAB9AKDM4EALDH1A1NFKB1
SCHEMBL13974490 0.74 RAB9A (0.65) NPC1RAB9AKDM4EALDH1A1NFKB1
SCHEMBL29767107 0.74 RAB9A (0.65) NPC1RAB9AKDM4EALDH1A1NFKB1
SCHEMBL16347029 0.73 NPC1 (0.49) NPC1RAB9AKDM4EALDH1A1NFKB1
SCHEMBL23402778 0.73 NPC1 (0.49) NPC1RAB9AKDM4EALDH1A1NFKB1
SCHEMBL10960030 0.71 CA12 (0.48) NPC1RAB9AKDM4EALDH1A1NFKB1

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-20240018151-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME TME THERAPEUTICS LLC 2024-01-18 US disclosed
WO-2022086993-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME TME THERAPEUTICS LLC (US) 2022-04-28 WO 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-20240018151-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME PIKFYVE, PIK3CD, PIK3R5 CYP11B1 4010/4885CYP11B2 4211/4885NPC1 2611/4885

“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.