SCHEMBL550101

SCHEMBL550101

O=C(O)c1cnccc1Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADM2 Q7Z4H4 14/20 0.51
CALCB P10092 13/20 0.49
CALCRL Q16602 6/20 0.49

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
SCHEMBL3048932 0.86 ADM2 (0.47) ADM2CALCBCALCRL
SCHEMBL549078 0.81 ADM2 (0.52) ADM2CALCBCALCRL
SCHEMBL550276 0.79 ADM2 (0.51) ADM2CALCBCALCRL
SCHEMBL3036259 0.78 ADM2 (0.50) ADM2CALCBCALCRL
Hydrochloric Acid SCHEMBL548949 0.77 ADM2 (0.49) ADM2CALCBCALCRL
SCHEMBL10246286 0.77 ADM2 (0.61) ADM2CALCBCALCRL
SCHEMBL31039432 0.77 ADM2 (0.61) ADM2CALCBCALCRL
SCHEMBL17023199 0.76 ADM2 (0.50) ADM2CALCBCALCRL
SCHEMBL12414790 0.76 ADM2 (0.60) ADM2CALCBCALCRL
SCHEMBL1818060 0.76 ADM2 (0.55) ADM2CALCBCALCRL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110575-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-07 US disclosed
US-20110021500-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
EP-2251339-A2 COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2010-11-17 EP 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-20110021500-A1 NOVEL COMPOUNDS CALCRL, CALCR, CALCA ADM2 245/4885CALCB 9/4885CALCRL 1/4885

“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.