SCHEMBL2239121

SCHEMBL2239121

Cc1cccnc1-c1nc(Cl)cc(-c2cccnc2)n1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 8/20 0.59
CYP19A1 P11511 4/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2E1 P05181 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALK Q9UM73 1/20 0.41
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
ROS1 P08922 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL2239691 0.79 CYP2A6 (0.63) CYP2A6CYP19A1KDM4EPIM1PIM2
SCHEMBL25458413 0.79 ALDH1A1 (0.54) CYP2A6CYP19A1LMNAKDM4EHTT
SCHEMBL15452761 0.77 CYP19A1 (0.49) CYP2A6CYP19A1LMNAKDM4EHTT
SCHEMBL2237033 0.77 CYP2A6 (0.68) CYP2A6CYP19A1LMNAKDM4EHTT
SCHEMBL3613457 0.76 CYP2A6 (1.00) CYP2A6LMNAKDM4EHTTCYP3A4
SCHEMBL4631802 0.76 SMN1; SMN2 (0.57) CYP2A6CYP19A1LMNAKDM4EHTT
SCHEMBL30579341 0.76 SMN1; SMN2 (0.57) CYP2A6CYP19A1LMNAKDM4EHTT
SCHEMBL30085876 0.76 CYP19A1 (0.51) CYP2A6CYP19A1LMNAKDM4EHTT
SCHEMBL25458352 0.76 CYP19A1 (0.51) CYP2A6CYP19A1LMNAKDM4EHTT
SCHEMBL4631312 0.75 LMNA (0.67) CYP2A6CYP19A1LMNAKDM4EHTT

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 13 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
CN-101490038-B Pyrimidine derivatives as ALK-5 inhibitors NOVARTIS AG 2013-08-14 CN 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
CN-101910153-A Pyrimidines as kinase inhibitors NOVARTIS AG 2010-12-08 CN 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
CN-101490038-A Pyrimidine derivatives as ALK-5 inhibitors NOVARTIS AG (CH) 2009-07-22 CN 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 CYP2A6 221/4885CYP19A1 1025/4885LMNA 795/4885
US-20090209539-A1 Pyrimidine derivatives as alk-5 Inhibitors ALK, ACVR1, MUSK CYP2A6 1225/4885CYP19A1 3779/4885LMNA 1528/4885

“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.