SCHEMBL15218939

SCHEMBL15218939

COc1cc(N)ccc1-n1ccnc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.54
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 3/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 2/20 0.41
HTT P42858 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
KCNH2 Q12809 1/20 0.39
SCN9A Q15858 1/20 0.39
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ICMT O60725 1/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2E1 P05181 1/20 0.37
CYP2A6 P11509 1/20 0.37
ALK Q9UM73 1/20 0.36
SNCA P37840 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL10903820 0.78 MAPT (0.44) ALDH1A1MAPTKDM4EGAAHTT
SCHEMBL3431048 0.78 NR3C2 (0.46) ALDH1A1MAPTKDM4ELMNAMAPK1
SCHEMBL10904420 0.78 GAA (0.47) ALDH1A1MAPTLMNAGAATSHR
SCHEMBL15218938 0.76 ALDH1A1 (0.51) ALDH1A1MAPTKDM4ELMNAHTT
SCHEMBL15222157 0.76 NR4A1 (0.54) NR4A1ALDH1A1MAPTKDM4ELMNA
SCHEMBL1926995 0.75 ALDH1A1 (0.49) ALDH1A1MAPTKDM4EGAATSHR
SCHEMBL16896842 0.74 NR4A1 (0.70) NR4A1ALDH1A1MAPTKDM4ELMNA
SCHEMBL175160 0.73 ICMT (0.37) ALDH1A1KDM4EHTTKCNH2SCN9A
SCHEMBL10902066 0.73 TUBB4A (0.49) ALDH1A1MAPTGAARECQLSMN1; SMN2
SCHEMBL3750278 0.73 NR4A1 (0.58) NR4A1ALDH1A1MAPTKDM4ELMNA

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-2958918-B1 DIHYDROPTERIDINONES II BOEHRINGER INGELHEIM INT (DE) 2016-12-07 EP disclosed
US-8865716-B2 Dihydropteridinones II BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-21 US disclosed
US-8865716-B2 Dihydropteridinones II BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-21 US disclosed
WO-2014127816-A1 DIHYDROPTERIDINONES II BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-28 WO disclosed
US-20130225593-A1 DIHYDROPTERIDINONES II BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-29 US disclosed
US-20130225593-A1 DIHYDROPTERIDINONES II BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-29 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 (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-20130225593-A1 DIHYDROPTERIDINONES II BACE1, BACE2, APP NR4A1 1338/4885ALDH1A1 3315/4885MAPT 204/4885

“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.