SCHEMBL3799174

SCHEMBL3799174

Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)c(Nc2nccc(-c3cccnc3)n2)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 20/20 0.77
BCR P11274 15/20 0.77
KIT P10721 11/20 0.77
ABL2 P42684 6/20 0.77
PDGFRA P16234 3/20 0.77
LYN P07948 3/20 0.77
PDGFRB P09619 2/20 0.77
SRC P12931 2/20 0.77
SYK P43405 2/20 0.77
PLK4 O00444 1/20 0.77
DDX3X O00571 1/20 0.77
GAK O14976 1/20 0.77
SLC22A2 O15244 1/20 0.77
MAPK13 O15264 1/20 0.77
CA12 O43570 1/20 0.77
SLC22A3 O75751 1/20 0.77
ABCB11 O95342 1/20 0.77
EGFR P00533 1/20 0.77
CA1 P00915 1/20 0.77
CA2 P00918 1/20 0.77

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
SCHEMBL27935065 0.91 ABL1 (0.78) ABL1BCRKITABL2PDGFRA
SCHEMBL6417929 0.89 ABL1 (0.77) ABL1BCRKITABL2PDGFRA
SCHEMBL13845837 0.88 ABL1 (0.88) ABL1BCRKITABL2PDGFRA
SCHEMBL15477704 0.87 ABL1 (0.59) ABL1BCRKITABL2PDGFRA
Imatinib SCHEMBL2236091 0.87 ABL1 (1.00) ABL1BCRKITABL2PDGFRA
Imatinib SCHEMBL3827 0.87 ABL1 (1.00) ABL1BCRKITABL2PDGFRA
Imatinib SCHEMBL29351601 0.87 ABL1 (1.00) ABL1BCRKITABL2PDGFRA
SCHEMBL4882244 0.87 ABL1 (0.83) ABL1BCRKITABL2PDGFRA
Imatinib SCHEMBL29355523 0.87 ABL1 (1.00) ABL1BCRKITABL2PDGFRA
Imatinib SCHEMBL15201213 0.86 ABL1 (0.98) ABL1BCRKITABL2PDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222360-A1 Treatment of Malignant Peripheral Nerve Sheath Tumors KINKI UNIVERSITY (JP) 2010-09-02 US claimed
EP-1487424-B1 4-(4-METHYLPIPERAZIN-1-YLMETHYL)-N-(4-METHYL-3(4-PYRIDIN-3-YL)PYRIMIDIN-2-YL-AMINO)PHENYL)-BENZAMIDE FOR TREATING ANG II-MEDIATED DISEASES NOVARTIS AG (CH) 2006-09-13 EP disclosed
EP-1487424-A2 4-(4-METHYLPIPERAZIN-1-YLMETHYL)-N-(4-METHYL-3(4-PYRIDIN-3-YL)PYRIMIDIN-2-YL-AMINO)PHENYL)-BENZAMIDE FOR TREATING ANG II-MEDIATED DISEASES Novartis AG (CH) 2004-12-22 EP disclosed
WO-2003077892-A3 4-(4-METHYLPIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3(4-PYRIDIN-3-YL)PYRIMIDIN-2-YL-AMINO)PHENYL]-BENZAMIDE FOR TREATING ANG II-MEDIATED DISEASES NOVARTIS AG (CH) 2003-12-24 WO disclosed
WO-2003077892-A2 4-(4-METHYLPIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3(4-PYRIDIN-3-YL)PYRIMIDIN-2-YL-AMINO)PHENYL]-BENZAMIDE FOR TREATING ANG II-MEDIATED DISEASES NOVARTIS AG (CH) 2003-09-25 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 (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-20100222360-A1 Treatment of Malignant Peripheral Nerve Sheath Tumors BRAF, NRAS, MAPK1 ABL1 213/4885BCR 1238/4885KIT 629/4885

“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.