SCHEMBL25462116

SCHEMBL25462116

c1ccc2nc(-c3ncnc4c3sc3ncccc34)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 6/20 0.52
LIMK1 P53667 3/20 0.52
CDC7 O00311 1/20 0.52
DBF4 Q9UBU7 1/20 0.52
PIK3CA P42336 1/20 0.44
RAB9A P51151 4/20 0.42
EGFR P00533 1/20 0.41
TGFBR1 P36897 1/20 0.41
NPC1 O15118 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
AR P10275 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TLR5 O60602 3/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CHEK2 O96017 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
SCHEMBL25462200 0.85 RAB9A (0.43) CLK1LIMK1CDC7DBF4RAB9A
SCHEMBL25461812 0.83 LIMK1 (0.51) LIMK1PIK3CARAB9AEGFRTGFBR1
SCHEMBL25461798 0.82 RAB9A (0.43) CLK1LIMK1CDC7DBF4RAB9A
SCHEMBL25663143 0.82 CLK1 (0.40) CLK1LIMK1CDC7DBF4PIK3CA
SCHEMBL25462114 0.80 CLK1 (0.52) CLK1LIMK1CDC7DBF4PIK3CA
SCHEMBL25462135 0.78 CLK1 (0.56) CLK1LIMK1CDC7DBF4PIK3CA
SCHEMBL25461761 0.76 RAB9A (0.46) CLK1LIMK1CDC7DBF4RAB9A
SCHEMBL25462134 0.75 CLK1 (0.56) CLK1LIMK1CDC7DBF4PIK3CA
SCHEMBL25461792 0.74 RAB9A (0.49) RAB9ATGFBR1NPC1CYP1A2CYP3A4
SCHEMBL25461779 0.73 RAB9A (0.43) RAB9ATGFBR1NPC1CYP1A2CYP3A4

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-20230151020-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE WUHAN TIANMA MICROELECTRONICS CO., LTD. (CN) 2023-05-18 US disclosed
US-20230151020-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE WUHAN TIANMA MICROELECTRONICS CO., LTD. (CN) 2023-05-18 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-20230151020-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE OCIAD1, OCIAD2, EHD1 CLK1 3888/4885LIMK1 351/4885CDC7 3272/4885

“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.