SCHEMBL2627633

SCHEMBL2627633

Brc1ccc2c(c1)[nH]c1c3c4ccccc4ccc3c3ccccc3c21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 7/20 0.52
CCND1 P24385 7/20 0.52
CCNE2 O96020 4/20 0.52
CCNE1 P24864 4/20 0.52
CDK2 P24941 4/20 0.52
CCNB2 O95067 3/20 0.52
CDK1 P06493 3/20 0.52
CCNB1 P14635 3/20 0.52
CCNB3 Q8WWL7 3/20 0.52
CAMK2B Q13554 2/20 0.52
CAMK2G Q13555 2/20 0.52
CAMK2D Q13557 2/20 0.52
CAMK2A Q9UQM7 2/20 0.52
CCNT1 O60563 1/20 0.52
EIF2AK2 P19525 1/20 0.52
CCNA2 P20248 1/20 0.52
CDK9 P50750 1/20 0.52
CDK5 Q00535 1/20 0.52
CDK5R1 Q15078 1/20 0.52
KIF11 P52732 1/20 0.45

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
SCHEMBL2627625 0.89 CDK4 (0.51) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL26543398 0.89 CDK4 (0.56) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL1899929 0.87 CDK4 (0.57) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL31622 0.84 CDK4 (0.51) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL30221171 0.84 CDK4 (0.51) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL30849130 0.84 CDK4 (0.51) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL2627611 0.83 CDK4 (0.65) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL14716762 0.82 KIF11 (0.68) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL29963214 0.82 KIF11 (0.68) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL22066486 0.79 CDK4 (0.54) CDK4CCND1CCNE2CCNE1CDK2

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
US-9362506-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-07 US disclosed
US-9362506-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-07 US disclosed
US-20140291654-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO LTD (KR) 2014-10-02 US disclosed
US-20140291654-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO LTD (KR) 2014-10-02 US disclosed
US-8815417-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2014-08-26 US disclosed
US-8815417-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2014-08-26 US disclosed
US-20120097929-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2012-04-26 US disclosed
US-20120097929-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2012-04-26 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-20120097929-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY2, CRY1, CCNE2 CDK4 113/4885CCND1 14/4885CCNE2 3/4885

“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.