SCHEMBL5497014

SCHEMBL5497014

Brc1ccc2nc(NCCN3CCCC3)ncc2c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.48
EGFR P00533 3/20 0.45
LCK P06239 3/20 0.43
KDR P35968 3/20 0.43
MAPK14 Q16539 3/20 0.43
KIT P10721 1/20 0.42
MAPK9 P45984 1/20 0.42
MAPK10 P53779 1/20 0.42
RIPK1 Q13546 1/20 0.41
RIPK3 Q9Y572 1/20 0.41
PIM1 P11309 2/20 0.40
P2RX3 P56373 1/20 0.40
P2RX2 Q9UBL9 1/20 0.40
HCRTR1 O43613 1/20 0.40
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL5495537 0.99 BRAF (0.49) BRAFEGFRLCKKDRMAPK14
SCHEMBL5488941 0.89 EGFR (0.56) EGFRLCKKDRMAPK14KIT
SCHEMBL14724559 0.84 LCK (0.44) BRAFLCKKDRMAPK14KIT
SCHEMBL5491242 0.82 EGFR (0.58) EGFRLCKKDRMAPK14KIT
SCHEMBL5490324 0.81 CASK (0.46) BRAFHCRTR1
SCHEMBL5491267 0.79 ACKR3 (0.46) BRAFLCKKDRMAPK14KIT
SCHEMBL5499003 0.77 SRC (0.51) BRAFEGFRLCKKDRMAPK14
SCHEMBL5494583 0.77 MKNK1 (0.51)
SCHEMBL1255047 0.76 PIM1 (0.44) PIM1P2RX3P2RX2SIGMAR1
SCHEMBL14724691 0.76 KMT2A (0.44) EGFR

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
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 EP disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 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-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 BRAF 100/4885EGFR 333/4885LCK 106/4885

“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.