SCHEMBL21169760

SCHEMBL21169760

Brc1cccc2c1[nH]c1c(-c3ccccc3)c3c([nH]c4c(Br)cccc43)c(-c3ccccc3)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 3/20 0.54
CCND1 P24385 3/20 0.54
CCNE2 O96020 2/20 0.54
CCNE1 P24864 2/20 0.54
CDK2 P24941 2/20 0.54
CAMK2B Q13554 2/20 0.54
CAMK2G Q13555 2/20 0.54
CAMK2D Q13557 2/20 0.54
CAMK2A Q9UQM7 2/20 0.54
CDK9 P50750 4/20 0.49
DYRK1A Q13627 4/20 0.49
DYRK1B Q9Y463 4/20 0.49
DYRK2 Q92630 4/20 0.49
CDK1 P06493 2/20 0.40
CCNB2 O95067 1/20 0.40
CCNB1 P14635 1/20 0.40
PRKACA P17612 1/20 0.40
PRKACG P22612 1/20 0.40
PRKACB P22694 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40

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
SCHEMBL28638013 0.76 ALDH1A1 (0.52) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL29655384 0.76 PIM1 (0.55) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL1817707 0.76 PIM1 (0.55) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL23098920 0.76 DYRK1A (0.53) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL22566996 0.74 CDK4 (0.83) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL22135855 0.73 ESR1 (0.59) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL30604028 0.73 ESR1 (0.59) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL28061677 0.72 MAPT (0.60) KDM4EMAPT
SCHEMBL19621587 0.72 PIM1 (0.61) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL490743 0.69 MAPK1 (0.43) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230128708-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND NOVEL COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2023-04-27 US disclosed
EP-3723149-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND NOVEL COMPOUND Idemitsu Kosan Co., Ltd (JP) 2020-10-14 EP disclosed
WO-2020115933-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE USING SAME 出光興産株式会社 2020-06-11 WO disclosed
US-20190221747-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND NOVEL COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2019-07-18 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-20230128708-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND NOVEL COMPOUND PIEZO1, TMEM109, OXA1L CDK4 1867/4885CCND1 747/4885CCNE2 1161/4885
US-20190221747-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND NOVEL COMPOUND KCNN4, OR10J3, KCNN2 CDK4 813/4885CCND1 674/4885CCNE2 766/4885

“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.