SCHEMBL62154

SCHEMBL62154

c1ccc(-c2c(-c3ccccc3)c3cc(-c4cccc5nccnc45)ccc3c3ccc(-c4cccc5nccnc45)cc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 7/20 0.41
PIK3CA P42336 1/20 0.38
ENPP1 P22413 1/20 0.38
TGFBR1 P36897 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
ACVR1 Q04771 6/20 0.36
ALK Q9UM73 1/20 0.35
ERN1 O75460 1/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
CDK5 Q00535 1/20 0.33

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
SCHEMBL10300889 0.93 TOP1 (0.40) TOP1PIK3CAENPP1TGFBR1KDM4E
SCHEMBL15977497 0.87 PIK3CA (0.45) TOP1PIK3CAENPP1TGFBR1ACVR1
SCHEMBL22422764 0.83 TOP1 (0.44) TOP1PIK3CAENPP1TGFBR1KDM4E
SCHEMBL2801515 0.81 TOP1 (0.53) TOP1PIK3CAKDM4EMEN1USP2
SCHEMBL15977645 0.80 ERN1 (0.40) TOP1KDM4EACVR1ERN1GSK3B
SCHEMBL19906445 0.79
SCHEMBL17227667 0.78 PIK3CA (0.43) TOP1PIK3CAACVR1
SCHEMBL20248882 0.77 IKBKB (0.38) TOP1ENPP1KDM4EMEN1USP2
SCHEMBL13556998 0.77 ACVR1 (0.54) PIK3CATGFBR1ACVR1ERN1
SCHEMBL17345167 0.75 MAPT (0.50) TOP1TGFBR1KDM4EMEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3287506-B1 PHENANTHRENE DERIVATIVES MERCK PATENT GMBH (DE) 2020-02-26 EP disclosed
EP-3287506-A1 PHENANTHRENE DERIVATIVES Merck Patent GmbH (DE) 2018-02-28 EP disclosed
US-8129037-B2 Phenanthrene derivative MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-8129037-B2 Phenanthrene derivative MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-20090026919-A1 PHENANTHRENE DERIVATIVE MERCK PATEN GMBH PATENTS & SCIENTIFIC INFORMATION (DE) 2009-01-29 US disclosed
US-20090026919-A1 PHENANTHRENE DERIVATIVE MERCK PATEN GMBH PATENTS & SCIENTIFIC INFORMATION (DE) 2009-01-29 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-20090026919-A1 PHENANTHRENE DERIVATIVE LEF1, CRY1, WNT1 TOP1 212/4885PIK3CA 4504/4885ENPP1 1462/4885

“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.