SCHEMBL2268441

SCHEMBL2268441

CSc1nnc2ccc(Cl)nn12

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.58
ALDH1A1 P00352 4/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
LMNA P02545 2/20 0.53
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
MALT1 Q9UDY8 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
TNF P01375 1/20 0.36
MET P08581 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
TNKS O95271 1/20 0.34

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
SCHEMBL1242674 0.75 KDM4E (0.64) KDM4EALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL612506 0.74 KDM4E (1.00) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL4247015 0.71 KDM4E (0.64) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL1374158 0.71 KDM4E (0.64) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL1187755 0.71 KDM4E (0.64) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL6631672 0.70 ALDH1A1 (0.69) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL17477291 0.70 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL13746610 0.70 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL937870 0.70 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL31735817 0.70 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1

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-8003649-B2 Bicyclic derivatives for use in the treatment of androgen receptor associated conditions-155 ASTRAZENECA AB (SE) 2011-08-23 US disclosed
EP-2235010-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS AstraZeneca AB (SE) 2010-10-06 EP disclosed
US-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 ASTRAZENECA AB (SE) 2010-01-21 US disclosed
WO-2009081197-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS ASTRAZENECA AB (SE) 2009-07-02 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-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 AR, NR5A1, CYP17A1 KDM4E 3067/4885ALDH1A1 806/4885SMN1; SMN2 3399/4885

“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.