SCHEMBL27009338

SCHEMBL27009338

Cc1cccc(-c2nc(C(C)(C)C)n(C)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.52
RAB9A P51151 6/20 0.46
HSD17B2 P37059 1/20 0.44
NPC1 O15118 4/20 0.44
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
HRH4 Q9H3N8 1/20 0.43
MAPT P10636 2/20 0.41
AOC3 Q16853 2/20 0.40
RIPK2 O43353 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL27009232 0.78 RAD52 (0.39) TDP2RAB9ANPC1HRH4MAPT
SCHEMBL12759458 0.78 TDP2 (0.49) TDP2RAB9AHSD17B2NPC1NR1H2
SCHEMBL11553734 0.73 TDP2 (0.53) TDP2RAB9AHSD17B2NPC1NR1H2
SCHEMBL26251829 0.72 TLR8 (0.46) RAB9ANPC1KDM4EALDH1A1TP53
SCHEMBL25817338 0.71 RAB9A (0.58) RAB9ANPC1HRH4TP53SMN1; SMN2
SCHEMBL25762600 0.71 RAB9A (0.58) RAB9ANPC1HRH4TP53SMN1; SMN2
SCHEMBL3766697 0.71 RAB9A (0.73) RAB9ANPC1HRH4TP53SMN1; SMN2
SCHEMBL4546968 0.69 RAB9A (0.70) RAB9ANPC1HRH4TP53SMN1; SMN2
SCHEMBL25599752 0.69 NR1H2 (0.71) TDP2RAB9AHSD17B2NPC1NR1H2
SCHEMBL17279740 0.68 NR1H3 (0.82) TDP2RAB9AHSD17B2NPC1NR1H2

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
US-20240018151-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME TME THERAPEUTICS LLC 2024-01-18 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-20240018151-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME PIKFYVE, PIK3CD, PIK3R5 TDP2 684/4885RAB9A 1213/4885HSD17B2 2919/4885

“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.