SCHEMBL26315535

SCHEMBL26315535

CC(C)(C)c1ccc2sc(CC(C)(C)c3ccc4ncsc4c3)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.40
MEN1 O00255 2/20 0.39
POLB P06746 2/20 0.39
KMT2A Q03164 2/20 0.39
NTRK1 P04629 1/20 0.39
NTRK2 Q16620 1/20 0.39
DYRK1A Q13627 2/20 0.34
TGFBR1 P36897 1/20 0.33
CLK1 P49759 1/20 0.33
CLK2 P49760 1/20 0.33
CLK3 P49761 1/20 0.33
GSK3B P49841 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
KDR P35968 2/20 0.33
KDM4E B2RXH2 2/20 0.33
INSR P06213 1/20 0.33
CSF1R P07333 1/20 0.33

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
SCHEMBL22141995 0.79 TRPV1 (0.33) TRPV1NPC1RAB9A
SCHEMBL761993 0.79 MEN1 (0.52) MEN1POLBKMT2ANTRK1NTRK2
SCHEMBL23479341 0.77 MEN1 (0.38) TRPV1MEN1POLBKMT2ANTRK1
SCHEMBL24366298 0.75 TRPV1 (0.39) TRPV1NPC1RAB9ALOXL2AKR1B1
SCHEMBL23944428 0.74 TRPV1 (0.41) TRPV1NPC1RAB9ALOXL2AKR1B1
SCHEMBL8203530 0.73 NPC1 (0.42) MEN1POLBKMT2ANTRK1NTRK2
SCHEMBL14791428 0.73 NPC1 (0.59) TRPV1DYRK1ANPC1RAB9ALOXL2
SCHEMBL20932782 0.73 NPC1 (0.43) TRPV1DYRK1ACLK1NPC1RAB9A
SCHEMBL761133 0.73 ALDH1A1 (0.45) TRPV1MEN1POLBKMT2ANTRK1
SCHEMBL21497445 0.71 NPC1 (0.38) TRPV1MEN1POLBKMT2ANTRK1

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-20230278993-A1 NOVEL TRICYCLIC AROMATIC HETEROCYCLIC COMPOUND AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI LONGWOOD BIOPHARMACEUTICALS CO., LTD. (CN) 2023-09-07 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-20230278993-A1 NOVEL TRICYCLIC AROMATIC HETEROCYCLIC COMPOUND AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF PDCD1, CD274, PDCD1LG2 TRPV1 129/4885MEN1 1444/4885POLB 2654/4885

“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.