SCHEMBL21110952

SCHEMBL21110952

c1ccc(-c2ccc3c(c2)C2(c4cc(-c5ccccc5)ccc4-3)c3ccccc3-c3c2c2[nH]c4ccccc4c2c2ccccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 8/20 0.38
CCND1 P24385 8/20 0.38
CDK5 Q00535 2/20 0.38
CDK5R1 Q15078 2/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
PDK2 Q15119 3/20 0.37
CCNE2 O96020 3/20 0.35
CCNE1 P24864 3/20 0.35
CDK2 P24941 3/20 0.35
CCNB2 O95067 2/20 0.35
CDK1 P06493 2/20 0.35
CCNB1 P14635 2/20 0.35
CCNB3 Q8WWL7 2/20 0.35
CAMK2B Q13554 2/20 0.35
CAMK2G Q13555 2/20 0.35
CAMK2D Q13557 2/20 0.35
CAMK2A Q9UQM7 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 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
SCHEMBL21113544 1.00 CDK4 (0.38) CDK4CCND1CDK5CDK5R1GSK3A
SCHEMBL21113548 1.00 CDK4 (0.38) CDK4CCND1CDK5CDK5R1GSK3A
SCHEMBL21110873 0.91 CDK4 (0.38) CDK4CCND1CDK5CDK5R1GSK3A
SCHEMBL21110712 0.91 CDK4 (0.38) CDK4CCND1CDK5CDK5R1GSK3A
SCHEMBL19980383 0.88 CDK4 (0.43) CDK4CCND1CDK5CDK5R1GSK3A
SCHEMBL15840202 0.80 PDK2 (0.39) PDK2GABRPGABRDGABRA1GABRB1
SCHEMBL15840203 0.80 PDK2 (0.39) PDK2GABRPGABRDGABRA1GABRB1
SCHEMBL25406442 0.76 KIF11 (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29506381 0.74 CHEK1 (0.43) CDK4CCND1CDK5CDK5R1GSK3A
SCHEMBL15126748 0.74 CHEK1 (0.43) CDK4CCND1CDK5CDK5R1GSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11447464-B2 Compounds with spirobifluorene-structures MERCK PATENT GMBH (DE) 2022-09-20 US disclosed
US-20190194164-A1 COMPOUNDS WITH SPIROBIFLUORENE-STRUCTURES MERCK PATENT GMBH (DE) 2019-06-27 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-11447464-B2 Compounds with spirobifluorene-structures SLCO1B3, SLCO4C1, SLCO1B1 CDK4 3036/4885CCND1 3424/4885CDK5 3690/4885
US-20190194164-A1 COMPOUNDS WITH SPIROBIFLUORENE-STRUCTURES SLCO1B3, SLCO4C1, SLCO1B1 CDK4 3036/4885CCND1 3424/4885CDK5 3690/4885

“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.