SCHEMBL9963502

SCHEMBL9963502

COC(=O)CCNc1nc2cc3nc(NCCC(=O)OC)sc3cc2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS15 P98073 2/20 0.56
TOP2A P11388 1/20 0.47
MAPT P10636 1/20 0.45
CASP2 P42575 1/20 0.43
RAB9A P51151 8/20 0.42
NPC1 O15118 7/20 0.42
SMN1; SMN2 Q16637 7/20 0.42
RIPK1 Q13546 1/20 0.42
TSHR P16473 1/20 0.42
TP53 P04637 1/20 0.41
QPCT Q16769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
DYRK1A Q13627 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40

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
SCHEMBL9963498 0.85 TOP2A (0.46) TMPRSS15TOP2AMAPTCASP2RAB9A
SCHEMBL9963506 0.83 HDAC6 (0.55) TMPRSS15TOP2AMAPTRAB9ANPC1
SCHEMBL25410262 0.83 TMPRSS15 (0.66) TMPRSS15TOP2AMAPTRAB9ANPC1
SCHEMBL9963687 0.81 TMPRSS15 (0.40) TMPRSS15TOP2AMAPTCASP2RAB9A
SCHEMBL9963605 0.80 PTGS2 (0.45) TMPRSS15TOP2AMAPTCASP2RAB9A
SCHEMBL4495242 0.76 RIPK1 (0.49) MAPTRAB9ANPC1SMN1; SMN2RIPK1
SCHEMBL10531687 0.76 CASP2 (0.61) TMPRSS15TOP2AMAPTCASP2RAB9A
SCHEMBL10531802 0.76 MAPT (0.54) TMPRSS15TOP2AMAPTCASP2RAB9A
SCHEMBL7629731 0.75 LCK (0.67)
SCHEMBL9963600 0.74 LMNA (0.42) MAPTRAB9ANPC1SMN1; SMN2TP53

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-2032583-B1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2014-11-19 EP disclosed
US-8203001-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-19 US disclosed
US-8203001-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-19 US disclosed
US-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 US disclosed
US-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 US disclosed
WO-2007144370-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-21 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-20090258857-A1 CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 TMPRSS15 4143/4885TOP2A 772/4885MAPT 1865/4885

“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.