SCHEMBL2240378

SCHEMBL2240378

CONC(=N)c1cccc(C)n1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.51
GRM5 P41594 4/20 0.45
NOS3 P29474 1/20 0.41
NOS2 P35228 1/20 0.41
HSP90AA1 P07900 1/20 0.40
CCR1 P32246 1/20 0.39
CCR8 P51685 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
RAB9A P51151 2/20 0.38
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 1/20 0.35
GBA1 P04062 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HKDC1 Q2TB90 1/20 0.35

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
SCHEMBL6454723 0.83 P2RX7 (0.62) P2RX7GRM5NOS3NOS2HSP90AA1
SCHEMBL23887634 0.81 P2RX7 (0.50) P2RX7GRM5NOS3NOS2HSP90AA1
SCHEMBL29843654 0.81 P2RX7 (0.50) P2RX7GRM5NOS3NOS2HSP90AA1
SCHEMBL18414338 0.81 P2RX7 (0.50) P2RX7GRM5NOS3NOS2HSP90AA1
SCHEMBL1580850 0.81 P2RX7 (0.50) P2RX7GRM5NOS3NOS2HSP90AA1
SCHEMBL29843729 0.76 P2RX7 (0.53) P2RX7GRM5NOS3NOS2HSP90AA1
SCHEMBL1443336 0.76 P2RX7 (0.53) P2RX7GRM5NOS3NOS2HSP90AA1
Hydrochloric Acid SCHEMBL6509547 0.75 P2RX7 (0.52) P2RX7GRM5NOS3NOS2HSP90AA1
SCHEMBL13274037 0.74 P2RX7 (0.50) P2RX7GRM5NOS3NOS2HSP90AA1
SCHEMBL30212560 0.73 P2RX7 (0.59) P2RX7GRM5KMT2AMEN1RAB9A

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 P2RX7 4411/4885GRM5 4496/4885NOS3 17/4885
US-20090209539-A1 Pyrimidine derivatives as alk-5 Inhibitors ALK, ACVR1, MUSK P2RX7 742/4885GRM5 2154/4885NOS3 797/4885

“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.