SCHEMBL4569767

SCHEMBL4569767

CN(C)Cc1cn(C)c2ncccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.50
HTR6 P50406 11/20 0.43
HTR2A P28223 4/20 0.41
HTR2C P28335 4/20 0.41
HTR2B P41595 1/20 0.41
CCNT1 O60563 1/20 0.41
PIM1 P11309 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CDK9 P50750 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
HTR7 P34969 3/20 0.41
DRD3 P35462 1/20 0.41
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ELANE P08246 1/20 0.40
BRD9 Q9H8M2 2/20 0.39
BRD7 Q9NPI1 2/20 0.39
BRD4 O60885 1/20 0.39

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
SCHEMBL30433061 0.83 HSD17B10 (0.49) DYRK1AHTR6HTR2AHTR2CCCNT1
SCHEMBL21294169 0.83 ELANE (0.41) DYRK1AHTR6HTR2AHTR2CHTR7
SCHEMBL12146931 0.83 ELANE (0.39) DYRK1AHTR6HTR2AHTR2CHTR7
SCHEMBL13044512 0.81 DYRK1A (0.47) DYRK1AHTR6CCNT1PIM1CCNA2
SCHEMBL13168783 0.81 CCNT1 (0.47) DYRK1AHTR6CCNT1PIM1CCNA2
SCHEMBL4569765 0.80 DYRK1A (0.46) DYRK1AHTR6CCNT1PIM1CCNA2
SCHEMBL1093706 0.79 DYRK1A (0.41) DYRK1AHTR6HTR2AHTR2CCCNT1
SCHEMBL411033 0.78 ELANE (0.36) DYRK1AHTR6HTR2AHTR2CHTR7
SCHEMBL1092197 0.77 DYRK1A (0.43) DYRK1AHTR6CCNT1PIM1CCNA2
SCHEMBL14678667 0.77 DYRK1A (0.43) DYRK1AHTR6HTR2AHTR2CCCNT1

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 654/4885HTR6 1381/4885HTR2A 1776/4885
US-20090105297-A1 Compounds Modulating C-Kit Activity KIT, CDC7, CDK7 DYRK1A 1356/4885HTR6 389/4885HTR2A 630/4885

“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.