SCHEMBL1937591

SCHEMBL1937591

CC(CCO)Nc1nc(Cl)ncc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.41
STK17B O94768 1/20 0.38
STK17A Q9UEE5 1/20 0.38
BCL6 P41182 2/20 0.33
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CNR2 P34972 1/20 0.32
CSF1R P07333 1/20 0.32
LTK P29376 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
CDK7 P50613 1/20 0.32
CDK9 P50750 1/20 0.32
RPS6KA3 P51812 1/20 0.32
CDK5 Q00535 1/20 0.32
PTK2 Q05397 1/20 0.32
CAMK1D Q8IU85 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32

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
SCHEMBL1937502 0.86 TLR8 (0.41) STK17BSTK17AALDH1A1L3MBTL1CSF1R
SCHEMBL1937476 0.82 GLP1R (0.44) TRPM8STK17BSTK17AGAAALDH1A1
SCHEMBL20652469 0.82 STK17A (0.36) STK17BSTK17AGLP1RMEN1KMT2A
SCHEMBL20640580 0.82 CRHR1 (0.39) STK17BSTK17AMAPTALDH1A1L3MBTL1
SCHEMBL31081933 0.81 TRPM8 (0.37) TRPM8STK17AALDH1A1L3MBTL1CDK7
SCHEMBL26664440 0.81 TRPM8 (0.37) TRPM8STK17AALDH1A1L3MBTL1CDK7
SCHEMBL1937566 0.79 STK17B (0.36) STK17BSTK17ABCL6ALDH1A1L3MBTL1
SCHEMBL20640610 0.79 KCNH2 (0.35) STK17BSTK17AALDH1A1L3MBTL1KMT2A
SCHEMBL20640562 0.79 STK17B (0.34) STK17BSTK17AALDH1A1L3MBTL1CNR2
SCHEMBL20640575 0.79 STK17B (0.37) TRPM8STK17BSTK17AMEN1KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117425660-A Aromatic heterocyclic compound, intermediate thereof, pharmaceutical composition and application 上海翊石医药科技有限公司 2024-01-19 CN disclosed
WO-2023222005-A1 AROMATIC HETEROCYCLIC COMPOUND AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND USE THEREOF 上海翊石医药科技有限公司 2023-11-23 WO disclosed
US-20200392158-A1 INHIBITORS OF LEUCINE RICH REPEAT KINASE 2 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-12-17 US disclosed
CN-110891954-A Inhibitors of leucine-rich repeat kinase 2 葛兰素史密斯克莱知识产权发展有限公司 2020-03-17 CN disclosed
WO-2019012093-A1 INHIBITORS OF LEUCINE RICH REPEAT KINASE 2 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-01-17 WO disclosed
EP-2330904-A2 4-ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES Bayer CropScience AG (DE) 2011-06-15 EP disclosed
WO-2010025863-A2 4-ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO 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-20200392158-A1 INHIBITORS OF LEUCINE RICH REPEAT KINASE 2 LRRK2, PARK7, PINK1 TRPM8 3128/4885STK17B 204/4885STK17A 264/4885

“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.