SCHEMBL5498068

SCHEMBL5498068

O=C(Nc1cccc(C(F)(F)F)c1)c1cc(Cl)ccn1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.63
SLC2A1 P11166 1/20 0.62
P2RX1 P51575 1/20 0.62
P2RX4 Q99571 1/20 0.62
P2RX7 Q99572 1/20 0.62
TMPRSS4 Q9NRS4 1/20 0.62
MAPT P10636 2/20 0.58
IDE P14735 1/20 0.58
MAPK1 P28482 1/20 0.58
MAPK10 P53779 1/20 0.58
GRM4 Q14833 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
MEN1 O00255 4/20 0.56
TSHR P16473 3/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56

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
SCHEMBL15238417 0.86 KMT2A (0.62) KMT2AP2RX1MAPTIDEMAPK1
SCHEMBL28290705 0.85 KMT2A (0.71) KMT2AP2RX1MAPTIDEMAPK1
SCHEMBL30360592 0.85 KMT2A (0.71) KMT2AP2RX1MAPTIDEMAPK1
SCHEMBL2243448 0.84 KDR (0.66) KMT2AMAPK1MEN1ALDH1A1PLK4
SCHEMBL13561074 0.80 KMT2A (0.72) KMT2ASLC2A1P2RX1P2RX4P2RX7
SCHEMBL6072225 0.80 GRM4 (0.65) KMT2ATMPRSS4GRM4HDAC6MEN1
SCHEMBL7606537 0.78 KMT2A (0.66) KMT2ASLC2A1P2RX1P2RX4P2RX7
SCHEMBL3110003 0.78 KMT2A (0.65) KMT2ASLC2A1P2RX1P2RX4P2RX7
SCHEMBL11791073 0.78 RXFP1 (0.79) KMT2ASLC2A1P2RX1P2RX4P2RX7
SCHEMBL14459434 0.77 KMT2A (0.74) KMT2ASLC2A1P2RX1P2RX4P2RX7

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-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 KMT2A 1204/4885SLC2A1 3599/4885P2RX1 478/4885

“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.