SCHEMBL16447971

SCHEMBL16447971

CCOC(=O)c1c(C)nc2c(OCC3CCC3)nccn12

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
MAPK1 P28482 3/20 0.47
HCRTR1 O43613 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GUCY1B2 O75343 14/20 0.44
GUCY1A2 P33402 14/20 0.44
GUCY1A1 Q02108 14/20 0.44
GUCY1B1 Q02153 14/20 0.44
JMJD6 Q6NYC1 1/20 0.39

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
SCHEMBL16447935 0.88 GUCY1B2 (0.46) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL15686189 0.82 GUCY1B2 (0.64) SMN1; SMN2GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL16447936 0.79 GUCY1B2 (0.39) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL10644161 0.79 GUCY1B2 (0.68) SMN1; SMN2GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL16447922 0.78 SMN1; SMN2 (0.60) SMN1; SMN2MAPK1HCRTR1TP53MAPT
SCHEMBL16447820 0.75 GUCY1B2 (0.44) MAPTKDM4EALDH1A1GUCY1B2GUCY1A2
SCHEMBL14232517 0.74 GUCY1B2 (0.48) SMN1; SMN2GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL15630704 0.73 GUCY1B2 (0.47) SMN1; SMN2GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL16447761 0.72 GUCY1B2 (0.47) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL6937081 0.70 SMN1; SMN2 (0.51) SMN1; SMN2MAPK1HCRTR1TP53MAPT

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
US-20160176880-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRAZINECARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-23 US disclosed
US-20160176880-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRAZINECARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-23 US disclosed
US-20160176880-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRAZINECARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-23 US disclosed
EP-3030564-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRAZINECARBOXAMIDES AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2016-06-15 EP disclosed
WO-2015018808-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRAZINECARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-02-12 WO disclosed
WO-2015018808-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRAZINECARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-02-12 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-20160176880-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRAZINECARBOXAMIDES AND USE THEREOF AADAC, PAICS, TPMT SMN1; SMN2 1890/4885MAPK1 2961/4885HCRTR1 1855/4885

“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.