SCHEMBL185672

SCHEMBL185672

N#Cc1ccccc1Nc1cnc(CN)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
AURKA O14965 2/20 0.39
LMNA P02545 2/20 0.39
LRRK2 Q5S007 3/20 0.37
PIM2 Q9P1W9 1/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 2/20 0.37
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL186635 0.87 LRRK2 (0.42) LRRK2MAPTNPC1RAB9A
SCHEMBL13160097 0.81 MAPT (0.45) LMNAKDM4EHPGDGAAMEN1
SCHEMBL13159824 0.80 AURKA (0.41) AURKAHTTNPC1RAB9ADHODH
SCHEMBL186242 0.80 AURKA (0.44) AURKAGAAMEN1HTTKMT2A
Trifluoroacetic Acid SCHEMBL185180 0.79 LRRK2 (0.37) LRRK2NPC1RAB9ADHODH
SCHEMBL185004 0.78 EGFR (0.42) AURKALMNAGAAMEN1MAPT
SCHEMBL185616 0.77 LRRK2 (0.42) FLT1FLT4KDRAURKALMNA
SCHEMBL16481316 0.71 LMNA (0.62) FLT1FLT4KDRAURKALMNA
SCHEMBL185236 0.70 HPGD (0.47) FLT1FLT4KDRAURKALMNA
SCHEMBL185485 0.70 CNR2 (0.37) AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
EP-2401256-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US disclosed
WO-2010097372-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 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-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 FLT1 2483/4885FLT4 3819/4885KDR 4285/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 FLT1 2483/4885FLT4 3819/4885KDR 4285/4885

“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.