SCHEMBL24270403

SCHEMBL24270403

c1cnc2sc3ncncc3c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 3/20 0.44
CLK1 P49759 2/20 0.44
CDC7 O00311 1/20 0.44
DBF4 Q9UBU7 1/20 0.44
IKBKB O14920 1/20 0.40
CHUK O15111 1/20 0.40
NPC1 O15118 2/20 0.36
HSP90AA1 P07900 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 3/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPT P10636 1/20 0.35
PIK3CA P42336 1/20 0.35
HPGD P15428 2/20 0.35
PDK1 Q15118 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 1/20 0.34
EGFR P00533 1/20 0.33
KAT2B Q92831 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
SCHEMBL4903332 0.83 LIMK1 (0.50) LIMK1CLK1CDC7DBF4IKBKB
SCHEMBL24623700 0.81 LIMK1 (0.37) LIMK1CLK1CDC7DBF4NPC1
SCHEMBL26423730 0.77 LIMK1 (0.36) LIMK1CLK1CDC7DBF4IKBKB
SCHEMBL26423739 0.77 LIMK1 (0.36) LIMK1CLK1CDC7DBF4IKBKB
SCHEMBL29717311 0.77 GPR3 (0.48) LIMK1L3MBTL1KDM4EMAPTHPGD
SCHEMBL3038100 0.77 GPR3 (0.48) LIMK1L3MBTL1KDM4EMAPTHPGD
SCHEMBL24270401 0.77 LIMK1 (0.41) LIMK1CLK1CDC7DBF4IKBKB
SCHEMBL2855389 0.77 CLK1 (0.51) LIMK1CLK1CDC7DBF4IKBKB
SCHEMBL11884989 0.76 LIMK1 (0.39) LIMK1CLK1CDC7DBF4IKBKB
SCHEMBL24624013 0.74 CLK1 (0.31) LIMK1CLK1CDC7DBF4PIK3CA

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-20220223794-A1 HETEROCYCLIC COMPOUND CONTAINING HETEROATOM SUBSTITUTED FLUORENE AND APPLICATION THEREOF Wuhan Tianma Microelectronics Co., Ltd. Shanghai Branch (CN) 2022-07-14 US disclosed
US-20220069240-A1 COMPOSITION AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2022-03-03 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 (2 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-20220223794-A1 HETEROCYCLIC COMPOUND CONTAINING HETEROATOM SUBSTITUTED FLUORENE AND APPLICATION THEREOF NR0B2, FPR3, NPR3 LIMK1 3355/4885CLK1 2296/4885CDC7 1709/4885
US-20220069240-A1 COMPOSITION AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME ORC3, LAGE3, ERCC1 LIMK1 272/4885CLK1 982/4885CDC7 1531/4885

“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.