SCHEMBL13909445

SCHEMBL13909445

Cc1c(NC(=O)C(O)(Cc2ccccc2)c2ccccc2)ccc(C#N)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 2/20 0.41
PDK2 Q15119 2/20 0.41
PDK3 Q15120 2/20 0.41
PDK4 Q16654 2/20 0.41
AR P10275 9/20 0.40
ABCC9 O60706 1/20 0.40
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40
KCNJ8 Q15842 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
CXCR1 P25024 1/20 0.38
CXCR2 P25025 1/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
PGR P06401 3/20 0.36
NR3C2 P08235 2/20 0.36
NR3C1 P04150 2/20 0.36

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
SCHEMBL4181415 1.00 PDK1 (0.41) PDK1PDK2PDK3PDK4AR
SCHEMBL4159577 0.95 ALDH1A1 (0.42) PDK1PDK2PDK3PDK4AR
SCHEMBL13909446 0.95 ALDH1A1 (0.42) PDK1PDK2PDK3PDK4AR
SCHEMBL13909448 0.92 KDM4E (0.42) PDK1PDK2PDK3PDK4AR
SCHEMBL4168242 0.92 KDM4E (0.42) PDK1PDK2PDK3PDK4AR
SCHEMBL4176199 0.91 MAPT (0.41) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL13909450 0.91 MAPT (0.41) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL13909454 0.88 ABCB1 (0.39) KDM4EALDH1A1HPGDNR3C2
SCHEMBL4170954 0.88 ABCB1 (0.39) KDM4EALDH1A1HPGDNR3C2
SCHEMBL28943039 0.79 AR (0.49) PDK1PDK2PDK3PDK4AR

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-20090075989-A1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AG (DE) 2009-03-19 US disclosed
US-20090075989-A1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AG (DE) 2009-03-19 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-20090075989-A1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS NR5A1, CYP19A1, GPER1 PDK1 555/4885PDK2 867/4885PDK3 543/4885

“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.