SCHEMBL1441902

SCHEMBL1441902

Nc1ncnc2c1c(I)cn2C1CC(=O)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.57
RAB9A P51151 1/20 0.57
ADK P55263 11/20 0.53
HASPIN Q8TF76 1/20 0.50
SRC P12931 3/20 0.45
ABL1 P00519 3/20 0.45
DAPK3 O43293 1/20 0.45
MAP4K4 O95819 1/20 0.45
PAK4 O96013 1/20 0.45
LCK P06239 1/20 0.45
FYN P06241 1/20 0.45
CSF1R P07333 1/20 0.45
RET P07949 1/20 0.45
IGF1R P08069 1/20 0.45
FGFR1 P11362 1/20 0.45
PRKACA P17612 1/20 0.45
FLT1 P17948 1/20 0.45
LTK P29376 1/20 0.45
KDR P35968 1/20 0.45
MAP2K2 P36507 1/20 0.45

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
SCHEMBL1933892 0.86 MTOR (0.52) MTORRAB9AADKHASPINSRC
SCHEMBL16237288 0.85 SRC (0.59) MTORRAB9AADKSRCABL1
SCHEMBL16655499 0.83 MTOR (0.55) MTORRAB9AADKHASPINSRC
SCHEMBL1933267 0.83 RIPK2 (0.63) MTORRAB9AADKSRCABL1
SCHEMBL1933264 0.83 RIPK2 (0.63) MTORRAB9AADKSRCABL1
SCHEMBL1940882 0.82 ABL1 (0.64) MTORRAB9AADKSRCABL1
SCHEMBL30155310 0.82 ABL1 (0.64) MTORRAB9AADKSRCABL1
SCHEMBL400626 0.82 SRC (0.61) MTORRAB9AADKSRCABL1
SCHEMBL29484468 0.82 SRC (0.61) MTORRAB9AADKSRCABL1
SCHEMBL24650661 0.81 MTOR (0.55) MTORRAB9AADKHASPINSRC

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-2683722-A1 FLUOROPHENYL BICYCLIC HETEROARYL COMPOUNDS Novartis AG (CH) 2014-01-15 EP disclosed
US-20130338152-A1 FLUOROPHENYL BICYCLIC HETEROARYL COMPOUNDS IRM LLC (BM) 2013-12-19 US disclosed
WO-2012120469-A1 FLUOROPHENYL BICYCLIC HETEROARYL COMPOUNDS NOVARTIS AG (CH) 2012-09-13 WO disclosed
WO-2012120469-A1 FLUOROPHENYL BICYCLIC HETEROARYL COMPOUNDS NOVARTIS AG (CH) 2012-09-13 WO disclosed
EP-2475668-A1 ETHER DERIVATIVES OF BICYCLIC HETEROARYLS Novartis AG (CH) 2012-07-18 EP disclosed
CN-102596963-A Ether derivatives of bicyclic heteroaryls NOVARTIS AG 2012-07-18 CN disclosed
US-20120165310-A1 ETHER DERIVATIVES OF BICYCLIC HETEROARYLS NOVARTIS AG (CH) 2012-06-28 US disclosed
WO-2011029915-A1 ETHER DERIVATIVES OF BICYCLIC HETEROARYLS NOVARTIS AG (CH) 2011-03-17 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-20130338152-A1 FLUOROPHENYL BICYCLIC HETEROARYL COMPOUNDS IGF1R, IGFBP1, IGFBP2 MTOR 134/4885RAB9A 2061/4885ADK 2073/4885
US-20120165310-A1 ETHER DERIVATIVES OF BICYCLIC HETEROARYLS ETV6, CYP11B2, CYP11B1 MTOR 1267/4885RAB9A 2387/4885ADK 3449/4885

“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.