SCHEMBL9947694

SCHEMBL9947694

Cc1cnc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c(C)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.50
PDK1 Q15118 2/20 0.40
CKS1B P61024 2/20 0.39
SKP1 P63208 2/20 0.39
SKP2 Q13309 2/20 0.39
TNK2 Q07912 1/20 0.38
APP P05067 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35

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
SCHEMBL14447318 0.89 CKS1B (0.47) JAK3PDK1CKS1BSKP1SKP2
SCHEMBL14447283 0.89 CKS1B (0.47) JAK3PDK1CKS1BSKP1SKP2
SCHEMBL14447303 0.87 CKS1B (0.50) PDK1CKS1BSKP1SKP2TNK2
SCHEMBL9947688 0.86 JAK3 (0.50) JAK3PDK1CKS1BSKP1SKP2
SCHEMBL14447275 0.86 CKS1B (0.49) PDK1CKS1BSKP1SKP2TNK2
SCHEMBL3335530 0.84 JAK3 (0.56) JAK3CKS1BSKP1SKP2TDP1
SCHEMBL29476061 0.84 JAK3 (0.56) JAK3CKS1BSKP1SKP2TDP1
SCHEMBL14447273 0.84 CKS1B (0.50) PDK1CKS1BSKP1SKP2TDP1
SCHEMBL31032716 0.83 JAK3 (0.54) JAK3CKS1BSKP1SKP2TDP1
SCHEMBL29403615 0.83 JAK3 (0.54) JAK3CKS1BSKP1SKP2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9508941-B2 Light-emitting elements comprising iridium organometallic complexes comprising aryl-substituted pyrazines SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-11-29 US disclosed
US-9508941-B2 Light-emitting elements comprising iridium organometallic complexes comprising aryl-substituted pyrazines SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-11-29 US disclosed
US-9508941-B2 Light-emitting elements comprising iridium organometallic complexes comprising aryl-substituted pyrazines SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-11-29 US disclosed
US-20140256934-A1 Organometallic Complex, Light-Emitting Element, Light-Emitting Device, and Electronic Device Including the Organometallic Complex SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-09-11 US disclosed
US-20140256934-A1 Organometallic Complex, Light-Emitting Element, Light-Emitting Device, and Electronic Device Including the Organometallic Complex SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-09-11 US disclosed
US-20140256934-A1 Organometallic Complex, Light-Emitting Element, Light-Emitting Device, and Electronic Device Including the Organometallic Complex SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-09-11 US disclosed
US-8735581-B2 Organometallic complex, light-emitting element, light-emitting device, and electronic device including the organometallic complex SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-05-27 US disclosed
US-8735581-B2 Organometallic complex, light-emitting element, light-emitting device, and electronic device including the organometallic complex SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-05-27 US disclosed
US-8735581-B2 Organometallic complex, light-emitting element, light-emitting device, and electronic device including the organometallic complex SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-05-27 US disclosed
US-20120165523-A1 Organometallic Complex, Light-Emitting Element, Light-Emitting Device, and Electronic Device Including the Organometallic Complex SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-06-28 US disclosed
US-20120165523-A1 Organometallic Complex, Light-Emitting Element, Light-Emitting Device, and Electronic Device Including the Organometallic Complex SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-06-28 US disclosed
US-20120165523-A1 Organometallic Complex, Light-Emitting Element, Light-Emitting Device, and Electronic Device Including the Organometallic Complex SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-06-28 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 (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-20120165523-A1 Organometallic Complex, Light-Emitting Element, Light-Emitting Device, and Electronic Device Including the Organometallic Complex CCNE2, CDK2, CDK20 JAK3 1439/4885PDK1 344/4885CKS1B 784/4885

“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.