SCHEMBL4886995

SCHEMBL4886995

c1cnc2sc3cnnnc3c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 5/20 0.43
LIMK1 P53667 3/20 0.43
CDC7 O00311 1/20 0.43
DBF4 Q9UBU7 1/20 0.43
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
LMNA P02545 4/20 0.36
PIK3CA P42336 2/20 0.35
EGFR P00533 1/20 0.33
TLR5 O60602 1/20 0.33
NPC1 O15118 2/20 0.32
HSP90AA1 P07900 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HPGD P15428 1/20 0.32
PRKCI P41743 2/20 0.32
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
TSHR P16473 2/20 0.31
GMNN O75496 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL24623625 0.79 CLK1 (0.45) CLK1LIMK1CDC7DBF4IKBKB
SCHEMBL23766609 0.75 LIMK1 (0.40) CLK1LIMK1CDC7DBF4IKBKB
SCHEMBL11761859 0.75 GPR3 (0.48) LIMK1EGFRHPGDKDM4EMAPT
SCHEMBL25461055 0.75
SCHEMBL2855389 0.75 CLK1 (0.51) CLK1LIMK1CDC7DBF4IKBKB
SCHEMBL11884995 0.74 LIMK1 (0.50) CLK1LIMK1CDC7DBF4IKBKB
SCHEMBL4901692 0.72 ALDH1A1 (0.43) LIMK1IKBKBLMNANPC1HPGD
SCHEMBL3965351 0.72 CLK1 (0.42) CLK1LIMK1CDC7DBF4IKBKB
SCHEMBL25662796 0.72 LIMK1 (0.56) CLK1LIMK1CDC7DBF4IKBKB
SCHEMBL25662802 0.71 LIMK1 (0.38) CLK1LIMK1CDC7DBF4IKBKB

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 8 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
WO-2012131297-A1 PYRIDO [3',2' :4,5] THIENO [3, 2-D] PYRIMIDIN- 4 - YLAMINE DERIVATIVES AND THEIR THERAPEUTICAL USE BAELL JONATHAN BAYLDON (AU) 2012-10-04 WO disclosed
US-20080306107-A1 Compounds ASTRAZENECA AB (SE) 2008-12-11 US disclosed
US-20080008720-A1 Substituted Tricyclic Heterocycles and their Uses CYWIN CHARLES L 2008-01-10 US disclosed
US-7291733-B2 Substituted tricyclic heterocycles and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-11-06 US disclosed
EP-1833834-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2007-09-19 EP disclosed
WO-2006068618-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2006-06-29 WO disclosed
US-20050101601-A1 Substituted tricyclic heterocycles and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-05-12 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 (4 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-20080306107-A1 Compounds FURIN, PCSK9, SLC10A1 CLK1 4019/4885LIMK1 1715/4885CDC7 4762/4885
US-20050101601-A1 Substituted tricyclic heterocycles and their uses LTC4S, NQO1, CBR3 CLK1 3223/4885LIMK1 4013/4885CDC7 1740/4885
US-20230151020-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE OCIAD1, OCIAD2, EHD1 CLK1 3888/4885LIMK1 351/4885CDC7 3272/4885
US-20080008720-A1 Substituted Tricyclic Heterocycles and their Uses LTC4S, NQO1, CBR3 CLK1 3223/4885LIMK1 4013/4885CDC7 1740/4885

“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.