SCHEMBL13756993

SCHEMBL13756993

CC[C@H]1COc2cccc(C)c2C(=O)N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.39
HTR2C P28335 4/20 0.39
HTR2B P41595 4/20 0.39
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
PBRM1 Q86U86 2/20 0.35
TDP1 Q9NUW8 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
NPC1 O15118 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34
PTK2 Q05397 1/20 0.34
HTR7 P34969 1/20 0.33
AR P10275 1/20 0.33
TP53 P04637 2/20 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
SCHEMBL13802128 1.00 HTR2A (0.39) HTR2AHTR2CHTR2BBRD4CREBBP
SCHEMBL10274708 1.00 HTR2A (0.39) HTR2AHTR2CHTR2BBRD4CREBBP
SCHEMBL13802199 0.89 HTR2A (0.37) HTR2AHTR2CHTR2BPBRM1TDP1
SCHEMBL13802100 0.87 HTR2A (0.38) HTR2AHTR2CHTR2BCREBBPPBRM1
SCHEMBL4491478 0.87 BRD4 (0.35) HTR2AHTR2CHTR2BBRD4CREBBP
SCHEMBL4491472 0.87 BRD4 (0.35) HTR2AHTR2CHTR2BBRD4CREBBP
SCHEMBL12714486 0.87 BRD4 (0.35) HTR2AHTR2CHTR2BBRD4CREBBP
SCHEMBL13801975 0.85 HTR2A (0.36) HTR2AHTR2CHTR2BPBRM1TDP1
SCHEMBL13801963 0.85 HTR2A (0.36) HTR2AHTR2CHTR2BPBRM1TDP1
SCHEMBL13802107 0.84 MAOB (0.43) HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569561-B2 2,4-diaminopyrimidines useful for treating cell proliferation diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-04 US disclosed
US-20090163465-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 US disclosed
US-20090149438-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-11 US disclosed
US-7521457-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-21 US disclosed
US-20070207999-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-06 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 (3 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-20090163465-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP HTR2A 3341/4885HTR2C 3994/4885HTR2B 3945/4885
US-20090149438-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP HTR2A 3341/4885HTR2C 3994/4885HTR2B 3945/4885
US-20070207999-A1 New Compounds CCNA1, MKI67, CCNT1 HTR2A 2958/4885HTR2C 3122/4885HTR2B 2768/4885

“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.