SCHEMBL4569765

SCHEMBL4569765

Cn1cc(CCl)c2cccnc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.46
CCNT1 O60563 1/20 0.43
PIM1 P11309 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CDK9 P50750 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
KDM4E B2RXH2 1/20 0.39
KDM6B O15054 1/20 0.39
KDM5A P29375 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GSK3B P49841 2/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38

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
SCHEMBL13044512 0.84 DYRK1A (0.47) DYRK1ACCNT1PIM1CCNA2CDK2
SCHEMBL13168783 0.84 CCNT1 (0.47) DYRK1ACCNT1PIM1CCNA2CDK2
SCHEMBL14678667 0.80 DYRK1A (0.43) DYRK1ACCNT1PIM1CCNA2CDK2
SCHEMBL967806 0.80 HTR2A (0.57) DYRK1ACCNT1PIM1CCNA2CDK2
SCHEMBL4569767 0.80 DYRK1A (0.50) DYRK1ACCNT1PIM1CCNA2CDK2
SCHEMBL1092197 0.80 DYRK1A (0.43) DYRK1ACCNT1PIM1CCNA2CDK2
SCHEMBL12146941 0.79 L3MBTL1 (0.36) KDM4EL3MBTL1PDE4AHTR6ELANE
Hydrochloric Acid SCHEMBL21546060 0.79 HTR2A (0.55) DYRK1ACCNT1PIM1CCNA2CDK2
SCHEMBL13036629 0.79 DYRK1A (0.43) DYRK1ACCNT1PIM1CCNA2CDK2
SCHEMBL23585682 0.78 DYRK1A (0.42) DYRK1ACCNT1PIM1CCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8648086-B2 5,6-bicyclic heteroaryl-containing urea compounds as kinase inhibitors ASCEPION PHARMACEUTICALS, INC. (CN) 2014-02-11 US disclosed
US-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS JIANG, SHAN 2012-05-17 US disclosed
US-7947708-B2 Compounds modulating C-kit activity PLEXXIKON, INC. (US) 2011-05-24 US disclosed
US-20090105297-A1 Compounds Modulating C-Kit Activity PLEXXIKON INC 2009-04-23 US disclosed
US-7498342-B2 Compounds modulating c-kit activity PLEXXIKON, INC. (US) 2009-03-03 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-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS FLT3, CSF1R, EPHA2 DYRK1A 654/4885CCNT1 671/4885PIM1 1208/4885
US-20090105297-A1 Compounds Modulating C-Kit Activity KIT, CDC7, CDK7 DYRK1A 1356/4885CCNT1 1460/4885PIM1 905/4885

“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.