SCHEMBL1855199

SCHEMBL1855199

C=CCNc1cnc(Br)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.46
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 3/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
HPGD P15428 2/20 0.37
MTOR P42345 1/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
INSR P06213 1/20 0.36
IGF1R P08069 1/20 0.36
FGFR1 P11362 1/20 0.36
KDR P35968 1/20 0.36
SLC2A1 P11166 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 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
SCHEMBL1853871 0.76 HCAR3 (0.57) HCAR3ALDH1A1KDM4ELMNAHTT
SCHEMBL24283871 0.74 HCAR3 (0.42) HCAR3ALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL7418413 0.71 ALDH1A1 (0.49) HCAR3ALDH1A1KDM4EHPGDL3MBTL1
SCHEMBL2379402 0.70 ALDH1A1 (0.45) HCAR3ALDH1A1KDM4ELMNAHTT
SCHEMBL12763797 0.69 HCAR3 (0.46) HCAR3ALDH1A1KDM4EIGF1RSMN1; SMN2
SCHEMBL20387726 0.69 ALDH1A1 (0.44) HCAR3ALDH1A1KDM4ELMNAHTT
SCHEMBL1853374 0.68 INSR (0.43) HCAR3ALDH1A1KDM4ELMNAHTT
SCHEMBL1585465 0.68 EGFR (0.43) KDM4EIGF1RSLC2A1MAPTRAB9A
SCHEMBL8230644 0.68 HCAR3 (0.57) HCAR3ALDH1A1KDM4ELMNAHTT
SCHEMBL28334037 0.68 HCAR3 (0.57) HCAR3ALDH1A1KDM4ELMNAHTT

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-8853420-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-07 US disclosed
EP-2471787-A1 New compounds Boehringer Ingelheim International GmbH (DE) 2012-07-04 EP disclosed
US-20110263565-A1 COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
EP-2324012-A1 NEW COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2011-05-25 EP disclosed
WO-2010012747-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-04 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-20110263565-A1 COMPOUNDS MKI67, CCNA1, CCNT1 HCAR3 3198/4885ALDH1A1 65/4885KDM4E 1623/4885

“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.