SCHEMBL1494487

SCHEMBL1494487

Nc1cccc(-c2nc[nH]c2-c2ccnc(Cl)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.47
CAMK2D Q13557 1/20 0.44
MAPK14 Q16539 2/20 0.41
PLK1 P53350 1/20 0.40
MAPK10 P53779 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 3/20 0.39
CYP3A4 P08684 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
BRAF P15056 2/20 0.38
POLB P06746 1/20 0.38
GFER P55789 1/20 0.38

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
SCHEMBL1466904 0.83 CAMK2D (0.58) CAMK2DPLK1NPC1RAB9AKDM4E
SCHEMBL6048280 0.79 IDO1 (0.57) IDO1MAPK14KDM4EMAPTCYP3A4
SCHEMBL1642029 0.75 CDK2 (0.48) CAMK2DMAPK14PLK1NPC1RAB9A
SCHEMBL1640422 0.74 CAMK2D (0.42) CAMK2DPLK1NPC1RAB9AKDM4E
SCHEMBL1641824 0.74 TGFBR1 (0.55) CAMK2DMAPK14PLK1NPC1RAB9A
SCHEMBL1127281 0.70 BRAF (0.51) CAMK2DBRAF
SCHEMBL3441833 0.69 MAPK1 (0.43) CAMK2DMAPK14MAPK10NPC1RAB9A
SCHEMBL1494395 0.68 KDM4E (0.33) KDM4E
SCHEMBL4708076 0.68 HSP90AA1 (0.67) CAMK2DPLK1NPC1RAB9AKDM4E
SCHEMBL31119010 0.68 KMO (0.62) IDO1CAMK2DPLK1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859548-B2 Compounds and compositions as protein kinase inhibitors NOVARTIS AG (CH) 2014-10-14 US disclosed
EP-2470528-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2014-10-01 EP disclosed
US-20140011825-A1 Compounds and Compositions as Protein Kinase Inhibitors NOVARTIS AG (CH) 2014-01-09 US disclosed
US-8563553-B2 Compounds and compositions as protein kinase inhibitors NOVARTIS AG (CH) 2013-10-22 US disclosed
US-20120225899-A1 Compounds and Compositions as Protein Kinase Inhibitors NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-09-06 US disclosed
US-8242260-B2 Compounds and compositions as protein kinase inhibitors NOVARTIS AG (CH) 2012-08-14 US disclosed
EP-2470528-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS Novartis AG (CH) 2012-07-04 EP disclosed
WO-2011023773-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2011-03-03 WO disclosed
US-20110052578-A1 Compounds and Compositions as Protein Kinase Inhibitors NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-03-03 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 (3 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-20110052578-A1 Compounds and Compositions as Protein Kinase Inhibitors RAF1, BRAF, ARAF IDO1 4301/4885CAMK2D 460/4885MAPK14 344/4885
US-20120225899-A1 Compounds and Compositions as Protein Kinase Inhibitors RAF1, BRAF, ARAF IDO1 4301/4885CAMK2D 460/4885MAPK14 344/4885
US-20140011825-A1 Compounds and Compositions as Protein Kinase Inhibitors RAF1, BRAF, ARAF IDO1 4301/4885CAMK2D 460/4885MAPK14 344/4885

“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.