SCHEMBL2237765

SCHEMBL2237765

CNc1cc(-c2cncc(-c3cccc(OCCN(C)C)c3)c2)nc(-c2ccccn2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
ADORA2A P29274 1/20 0.42
HSF1 Q00613 1/20 0.41
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
TGFBR1 P36897 2/20 0.40
ACVR1B P36896 1/20 0.40
KIT P10721 1/20 0.39
GRK5 P34947 1/20 0.39
FFAR1 O14842 3/20 0.39
HDAC1 Q13547 1/20 0.38
ESR1 P03372 1/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
GRM5 P41594 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC2A1 P11166 1/20 0.38
TEK Q02763 1/20 0.38
TNK2 Q07912 1/20 0.37

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
SCHEMBL2239941 0.91 ACVR1B (0.46) KDM4EHSF1CHRNB2CHRNA4TGFBR1
SCHEMBL2240368 0.89 ADORA2A (0.47) ADORA2AHSF1CHRNB2CHRNA4TGFBR1
SCHEMBL2239772 0.88 CYP3A4 (0.46) ADORA2AFFAR1HDAC1SMN1; SMN2
SCHEMBL2241190 0.87 KDM4E (0.46) KDM4EFFAR1NPC1PKMGRM5
SCHEMBL2238727 0.86 NPC1 (0.52) KDM4EADORA2ATGFBR1FFAR1NPC1
SCHEMBL2237755 0.86 FFAR1 (0.43) CHRNB2CHRNA4TGFBR1ACVR1BKIT
SCHEMBL2240816 0.85 CHRNB2 (0.42) ADORA2ACHRNB2CHRNA4FFAR1HDAC1
SCHEMBL2240533 0.81 ADORA2A (0.42) ADORA2AHSF1CHRNB2CHRNA4TGFBR1
SCHEMBL2239724 0.80 SMN1; SMN2 (0.44) KDM4EHSF1TGFBR1ACVR1BHDAC1
SCHEMBL2239652 0.78 ROCK2 (0.40) HSF1CHRNB2CHRNA4TGFBR1ACVR1B

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 7 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-20090209539-A1 Pyrimidine derivatives as alk-5 Inhibitors NOVARTIS AG (CH) 2009-08-20 US claimed
EP-2044056-A1 PYRIMIDINE DERIVATIVES AS ALK-5 INHIBITORS Novartis Ag (CH) 2009-04-08 EP claimed
WO-2008006583-A1 PYRIMIDINE DERIVATIVES AS ALK-5 INHIBITORS NOVARTIS AG (CH) 2008-01-17 WO 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 KDM4E 853/4885ADORA2A 1450/4885HSF1 4774/4885

“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.