SCHEMBL12302829

SCHEMBL12302829

COc1cccc(-c2ncccn2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 6/20 1.00
DYRK1A Q13627 3/20 1.00
CYP19A1 P11511 1/20 0.65
CYP1A2 P05177 7/20 0.55
CYP3A4 P08684 6/20 0.55
CYP2D6 P10635 5/20 0.55
CYP2C19 P33261 5/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
TP53 P04637 3/20 0.55
LMNA P02545 3/20 0.55
MAPT P10636 3/20 0.55
TDP1 Q9NUW8 3/20 0.55
MAPK1 P28482 2/20 0.55
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
PKM P14618 1/20 0.54
GRM5 P41594 1/20 0.54
TSHR P16473 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54

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
SCHEMBL27559198 0.85 CLK4 (0.73) CLK4DYRK1ACYP19A1CYP1A2CYP3A4
SCHEMBL28029638 0.84 CLK4 (0.72) CLK4DYRK1ACYP19A1CYP1A2CYP3A4
SCHEMBL17864721 0.83 DYRK1A (0.71) CLK4DYRK1ACYP19A1CYP1A2CYP3A4
SCHEMBL25269044 0.83 CLK4 (0.70) CLK4DYRK1ACYP19A1CYP1A2CYP3A4
SCHEMBL31230014 0.83 CLK4 (0.70) CLK4DYRK1ACYP19A1CYP1A2CYP3A4
SCHEMBL2666349 0.83 CLK4 (0.70) CLK4DYRK1ACYP19A1CYP1A2CYP3A4
SCHEMBL27807278 0.82 DYRK1A (0.69) CLK4DYRK1ACYP19A1CYP1A2CYP3A4
SCHEMBL27785384 0.82 DYRK1A (0.69) CLK4DYRK1ACYP19A1CYP1A2CYP3A4
SCHEMBL30447335 0.81 CLK4 (0.68) CLK4DYRK1ACYP19A1CYP1A2CYP3A4
SCHEMBL25260413 0.81 CLK4 (0.68) CLK4DYRK1ACYP19A1CYP1A2CYP3A4

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
WO-2023107552-A2 PURINES AND METHODS OF THEIR USE Kineta, Inc. (US) 2023-06-15 WO disclosed
WO-2022257960-A1 BICYCLIC COMPOUND FOR THE TREATMENT OF EP2 AND EP4 RECEPTOR-MEDIATED DISEASES 武汉人福创新药物研发中心有限公司 2022-12-15 WO disclosed
US-8293715-B2 10a-Azalide compound crosslinked at 10a- and 12-positions TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-10-23 US disclosed
CN-101812022-B Ortho-monovinylphenyl substituted compound of aryl pyrimidine and synthesizing method thereof UNIV SHANGHAI 2012-01-04 CN disclosed
US-20110237784-A1 10A-AZALIDE COMPOUND CROSSLINKED AT 10A- AND 12-POSITIONS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-29 US disclosed
CN-101812022-A Ortho-monovinylphenyl substituted compound of aryl pyrimidine and synthesizing method thereof UNIV SHANGHAI 2010-08-25 CN disclosed
CN-1046218-C Process for the carbonylation of acetylenically unsaturated compounds SHELL INT RESEARCH (NL) 1999-11-10 CN disclosed
CN-1088851-A The catalyst system that the carbonylation of acetylenically unsaturated compound is used SHELL INT RESEARCH (NL) 1994-07-06 CN 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-20110237784-A1 10A-AZALIDE COMPOUND CROSSLINKED AT 10A- AND 12-POSITIONS DCLRE1A, AZI2, CHD9 CLK4 4600/4885DYRK1A 3675/4885CYP19A1 1041/4885

“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.