SCHEMBL17595037

SCHEMBL17595037

Cc1ccc(N)cc1-c1cc(Cl)nc(N(CCO)CCO)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
HTT P42858 2/20 0.40
PLA2G7 Q13093 1/20 0.38
CDC7 O00311 1/20 0.38
ROCK2 O75116 1/20 0.38
MAP4K4 O95819 1/20 0.38
PIM1 P11309 1/20 0.38
PRKACA P17612 1/20 0.38
CDK2 P24941 1/20 0.38
GSK3B P49841 1/20 0.38
HIPK2 Q9H2X6 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
RAF1 P04049 5/20 0.35
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP3A4 P08684 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
GRM5 P41594 1/20 0.32

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
SCHEMBL17595012 0.79 PLA2G7 (0.51) POLBPLA2G7MAP4K4RAF1KDM4E
SCHEMBL31312426 0.79 PLA2G7 (0.51) POLBPLA2G7MAP4K4RAF1KDM4E
SCHEMBL20264654 0.77 RAF1 (0.58) RAF1
SCHEMBL17594941 0.75 RAF1 (0.40) RAF1ESR1ESR2
SCHEMBL25699188 0.75 PLA2G7 (0.47) PLA2G7RAF1KDM4ECYP3A4ALDH1A1
SCHEMBL31636298 0.75 PLA2G7 (0.47) PLA2G7RAF1KDM4ECYP3A4ALDH1A1
SCHEMBL17594798 0.75 CYP2D6 (0.51) PLA2G7CDC7ROCK2MAP4K4PIM1
SCHEMBL25261605 0.73 PLA2G7 (0.45) PLA2G7MAP4K4RAF1KDM4ECYP3A4
SCHEMBL30405473 0.73 PLA2G7 (0.45) PLA2G7MAP4K4RAF1KDM4ECYP3A4
SCHEMBL31393363 0.71 CDC7 (0.41) PLA2G7CDC7ROCK2MAP4K4PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3191478-B1 COMPOUNDS AND COMPOSITIONS AS RAF KINASE INHIBITORS NOVARTIS AG (CH) 2019-05-08 EP disclosed
US-10167279-B2 Compounds and compositions as RAF kinase inhibitors NOVARTIS AG (CH) 2019-01-01 US disclosed
US-10167279-B2 Compounds and compositions as RAF kinase inhibitors NOVARTIS AG (CH) 2019-01-01 US disclosed
US-20180170917-A1 COMPOUNDS AND COMPOSITIONS AS RAF KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2018-06-21 US disclosed
US-20180170917-A1 COMPOUNDS AND COMPOSITIONS AS RAF KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2018-06-21 US disclosed
US-20180170917-A1 COMPOUNDS AND COMPOSITIONS AS RAF KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2018-06-21 US disclosed
EP-3191478-A1 COMPOUNDS AND COMPOSITIONS AS RAF KINASE INHIBITORS Novartis AG (CH) 2017-07-19 EP disclosed
WO-2016038582-A1 COMPOUNDS AND COMPOSITIONS AS RAF KINASE INHIBITORS NOVARTIS AG (CH) 2016-03-17 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-20180170917-A1 COMPOUNDS AND COMPOSITIONS AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF POLB 2465/4885HTT 4024/4885PLA2G7 1167/4885
US-10167279-B2 Compounds and compositions as RAF kinase inhibitors BRAF, RAF1, ARAF POLB 2465/4885HTT 4024/4885PLA2G7 1167/4885

“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.