SCHEMBL2240381

SCHEMBL2240381

CON=C(N)c1cccc(C)n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.47
P2RX7 Q99572 1/20 0.46
GRM5 P41594 1/20 0.40
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
HSP90AA1 P07900 1/20 0.39
CCR1 P32246 1/20 0.38
CCR8 P51685 1/20 0.38
NPC1 O15118 10/20 0.37
RAB9A P51151 10/20 0.37
PKM P14618 3/20 0.37
CDK5 Q00535 3/20 0.36
CDK5R1 Q15078 3/20 0.36
PAX8 Q06710 2/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 2/20 0.35
KDM4E B2RXH2 2/20 0.35
METAP2 P50579 1/20 0.34

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
SCHEMBL1580848 0.79 P2RX7 (0.50) ADORA3P2RX7GRM5NOS3NOS2
SCHEMBL1580849 0.79 P2RX7 (0.50) ADORA3P2RX7GRM5NOS3NOS2
SCHEMBL3708925 0.79 P2RX7 (0.50) ADORA3P2RX7GRM5NOS3NOS2
SCHEMBL3708926 0.79 P2RX7 (0.50) ADORA3P2RX7GRM5NOS3NOS2
SCHEMBL4474742 0.75 P2RX7 (0.50) ADORA3P2RX7GRM5NOS3NOS2
SCHEMBL4474740 0.75 P2RX7 (0.50) ADORA3P2RX7GRM5NOS3NOS2
SCHEMBL12654774 0.71 P2RX7 (0.53) ADORA3P2RX7GRM5NOS3NOS2
SCHEMBL1013960 0.71 P2RX7 (0.63) P2RX7GRM5NOS3NOS2CCR1
SCHEMBL29447048 0.71 P2RX7 (0.63) P2RX7GRM5NOS3NOS2CCR1
SCHEMBL29843729 0.71 P2RX7 (0.53) P2RX7GRM5NOS3NOS2HSP90AA1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231642-B1 PYRIMIDINES AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-10-23 EP disclosed
US-8431578-B2 Organic compounds NOVARTIS AG (CH) 2013-04-30 US disclosed
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-20100298337-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-25 US disclosed
EP-2231642-A1 PYRIMIDINES AS KINASE INHIBITORS Novartis AG (CH) 2010-09-29 EP disclosed
US-20090209539-A1 Pyrimidine derivatives as alk-5 Inhibitors NOVARTIS AG (CH) 2009-08-20 US disclosed
WO-2009087224-A1 PYRIMIDINES AS KINASE INHIBITORS NOVARTIS AG (CH) 2009-07-16 WO disclosed
EP-2044056-A1 PYRIMIDINE DERIVATIVES AS ALK-5 INHIBITORS Novartis Ag (CH) 2009-04-08 EP disclosed
WO-2008006583-A1 PYRIMIDINE DERIVATIVES AS ALK-5 INHIBITORS NOVARTIS AG (CH) 2008-01-17 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 (2 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-20100298337-A1 Organic Compounds CYP11B2, TNNT2, CPT1B ADORA3 3333/4885P2RX7 4411/4885GRM5 4496/4885
US-20090209539-A1 Pyrimidine derivatives as alk-5 Inhibitors ALK, ACVR1, MUSK ADORA3 754/4885P2RX7 742/4885GRM5 2154/4885

“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.