SCHEMBL2237541

SCHEMBL2237541

CNc1cc(-c2cncc(-c3ccc(C(=O)N4CCCC4)cc3)c2)nc(-c2cccc(C)n2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.45
CCNC P24863 6/20 0.42
CDK8 P49336 6/20 0.42
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
MAPK1 P28482 1/20 0.41
DHODH Q02127 2/20 0.41
GRM5 P41594 1/20 0.41
PARP1 P09874 1/20 0.40
GBA1 P04062 1/20 0.40
CES2 O00748 1/20 0.40
CYP1A2 P05177 1/20 0.39
TACR3 P29371 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ABL1 P00519 2/20 0.39
BCR P11274 2/20 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
SCHEMBL2241835 0.93 POLB (0.45) HPGDCCNCCDK8GRM5CYP1A2
SCHEMBL2235617 0.92 ADORA2A (0.44) HPGDNPC1ALDH1A1RAB9AMAPK1
SCHEMBL2238690 0.87 HPGD (0.48) HPGDCCNCCDK8ALDH1A1MAPK1
SCHEMBL2242554 0.84 PLK4 (0.50) HPGDRAB9AMEN1KMT2AABL1
SCHEMBL4175579 0.82 POLB (0.46) HPGDCCNCCDK8GRM5ABL1
SCHEMBL2238789 0.82 CYP2D6 (0.41) DHODHPARP1CYP2C19
SCHEMBL2238776 0.80 HPGD (0.47) HPGDNPC1ALDH1A1RAB9AMAPK1
SCHEMBL2239526 0.80 IRAK4 (0.45) ABL1BCR
SCHEMBL2238961 0.80 RIPK1 (0.48) ALDH1A1MAPK1TACR3ABL1BCR
SCHEMBL2244227 0.80 TGFBR1 (0.42) NPC1RAB9AMEN1KMT2A

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-2044056-B1 PYRIMIDINE DERIVATIVES AS ALK-5 INHIBITORS NOVARTIS AG (CH) 2012-08-22 EP claimed
US-7989458-B2 Pyrimidine derivatives as alk-5 inhibitors NOVARTIS AG (CH) 2011-08-02 US claimed
US-20090209539-A1 Pyrimidine derivatives as alk-5 Inhibitors NOVARTIS AG (CH) 2009-08-20 US claimed
EP-2044056-B1 PYRIMIDINE DERIVATIVES AS ALK-5 INHIBITORS NOVARTIS AG (CH) 2012-08-22 EP disclosed
US-7989458-B2 Pyrimidine derivatives as alk-5 inhibitors NOVARTIS AG (CH) 2011-08-02 US disclosed
US-20090209539-A1 Pyrimidine derivatives as alk-5 Inhibitors NOVARTIS AG (CH) 2009-08-20 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-20090209539-A1 Pyrimidine derivatives as alk-5 Inhibitors ALK, ACVR1, MUSK HPGD 2857/4885CCNC 1002/4885CDK8 123/4885

“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.