SCHEMBL2627611

SCHEMBL2627611

c1ccc2c(c1)ccc1c3ccccc3c3c4ccccc4[nH]c3c21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 7/20 0.65
CCND1 P24385 7/20 0.65
KIF11 P52732 1/20 0.63
CCNE2 O96020 3/20 0.58
CCNE1 P24864 3/20 0.58
CDK2 P24941 3/20 0.58
CCNB2 O95067 2/20 0.58
PRKCG P05129 2/20 0.58
PRKCB P05771 2/20 0.58
CDK1 P06493 2/20 0.58
CCNB1 P14635 2/20 0.58
PRKCA P17252 2/20 0.58
CCNB3 Q8WWL7 2/20 0.58
GSK3B P49841 1/20 0.58
MAP3K9 P80192 1/20 0.58
MAP3K11 Q16584 1/20 0.58
GABRP O00591 2/20 0.52
GABRD O14764 2/20 0.52
GABRA1 P14867 2/20 0.52
GABRB1 P18505 2/20 0.52

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
SCHEMBL17072688 0.91 CDK4 (0.65) CDK4CCND1KIF11CCNE2CCNE1
SCHEMBL20311611 0.89 KIF11 (0.65) CDK4CCND1KIF11CCNE2CCNE1
SCHEMBL17071327 0.89 KIF11 (0.65) CDK4CCND1KIF11CCNE2CCNE1
Naphthalene SCHEMBL29245022 0.86 KIF11 (0.77) CDK4CCND1KIF11CCNE2CCNE1
SCHEMBL20662954 0.84 KIF11 (0.69) CDK4CCND1KIF11CCNE2CCNE1
SCHEMBL2627635 0.83 CHEK1 (0.67) CDK4CCND1KIF11CCNE2CCNE1
SCHEMBL2627633 0.83 CDK4 (0.52) CDK4CCND1KIF11CCNE2CCNE1
SCHEMBL15104441 0.83 KIF11 (0.79) CDK4CCND1KIF11CCNE2CCNE1
SCHEMBL28742759 0.83 KIF11 (0.79) CDK4CCND1KIF11CCNE2CCNE1
SCHEMBL28995573 0.83 KIF11 (0.79) CDK4CCND1KIF11CCNE2CCNE1

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 14/4885KIF11 3044/4885

“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.