SCHEMBL17379705

SCHEMBL17379705

Brc1ccc2[nH]c3c4c(ccc3c2c1)C1(c2ccccc2-c2ccccc21)c1ccccc1-4

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 2/20 0.47
AR P10275 1/20 0.46
CCNB2 O95067 6/20 0.43
CDK1 P06493 6/20 0.43
CCNB1 P14635 6/20 0.43
CCNB3 Q8WWL7 6/20 0.43
CCNE1 P24864 4/20 0.43
CDK2 P24941 4/20 0.43
CCNE2 O96020 3/20 0.43
CDK4 P11802 2/20 0.43
CCND1 P24385 2/20 0.43
PIM1 P11309 2/20 0.43
CDK5 Q00535 5/20 0.40
CDK5R1 Q15078 5/20 0.40
CCNT1 O60563 2/20 0.40
CCNA2 P20248 2/20 0.40
CDK9 P50750 2/20 0.40
EIF2AK2 P19525 1/20 0.40
CAMK2B Q13554 1/20 0.40
CAMK2G Q13555 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
SCHEMBL17379752 0.99 AR (0.47) PIM3ARCCNB2CDK1CCNB1
SCHEMBL17379796 0.95 CCNB2 (0.47) PIM3ARCCNB2CDK1CCNB1
SCHEMBL17379810 0.86 PIM3 (0.33) PIM3CDK4CCND1PIM1CDK5
SCHEMBL19195976 0.86 AR (0.45) PIM3ARCCNB2CDK1CCNB1
SCHEMBL15840120 0.84 PDK2 (0.36) CDK4CCND1CHEK1GABRA1GABRG2
SCHEMBL21972858 0.84 BCHE (0.43) CCNB2CDK1CCNB1CCNB3CDK4
SCHEMBL29506370 0.83 KIF11 (0.45) PIM3CCNB2CDK1CCNB1CCNB3
SCHEMBL31632211 0.83 KIF11 (0.45) PIM3CCNB2CDK1CCNB1CCNB3
SCHEMBL15824466 0.83 KIF11 (0.45) PIM3CCNB2CDK1CCNB1CCNB3
SCHEMBL24531460 0.83 CCNB2 (0.44) ARCCNB2CDK1CCNB1CCNB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3158597-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-09-23 EP disclosed
US-20170324044-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-11-09 US disclosed
WO-2015192939-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-12-23 WO 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-20170324044-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, EPCAM, L1CAM PIM3 710/4885AR 4117/4885CCNB2 2801/4885

“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.