SCHEMBL12501427

SCHEMBL12501427

COc1ccnc(C(=O)C=CN(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.55
ALDH1A1 P00352 5/20 0.55
HPGD P15428 2/20 0.55
HTT P42858 4/20 0.53
GAA P10253 3/20 0.53
LMNA P02545 2/20 0.50
CCR1 P32246 1/20 0.46
CCR5 P51681 1/20 0.46
CCR8 P51685 1/20 0.46
RECQL P46063 1/20 0.45
KMT2A Q03164 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MEN1 O00255 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
HSP90AA1 P07900 1/20 0.41

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
SCHEMBL7239456 0.80 HTT (0.50) MAPTALDH1A1HPGDHTTGAA
SCHEMBL4736636 0.80 HTT (0.50) MAPTALDH1A1HPGDHTTGAA
SCHEMBL1759135 0.80 HTT (0.51) MAPTALDH1A1HPGDHTTGAA
SCHEMBL1759138 0.80 HTT (0.51) MAPTALDH1A1HPGDHTTGAA
SCHEMBL1759136 0.80 HTT (0.51) MAPTALDH1A1HPGDHTTGAA
SCHEMBL12501401 0.79 MAPT (0.44) MAPTALDH1A1HPGDHTTGAA
SCHEMBL14651335 0.79 MAPT (0.44) MAPTALDH1A1HPGDHTTGAA
SCHEMBL24369170 0.79 ALDH1A1 (0.53) MAPTALDH1A1HPGDHTTGAA
SCHEMBL29488881 0.79 MAPT (0.59) MAPTALDH1A1HPGDHTTGAA
SCHEMBL14651339 0.79 MAPT (0.59) MAPTALDH1A1HPGDHTTGAA

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
EP-2668177-B1 SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2014-10-22 EP disclosed
US-8772305-B2 Substituted pyridinyl-pyrimidines and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-08 US disclosed
EP-2668177-A1 SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2013-12-04 EP disclosed
US-20130023502-A1 SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 US disclosed
WO-2012101013-A1 SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 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-20130023502-A1 SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS ADORA1, P2RY1, P2RY11 MAPT 4540/4885ALDH1A1 419/4885HPGD 643/4885

“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.