SCHEMBL2970952

SCHEMBL2970952

O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(F)c(Br)c1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.70
KCNK3 O14649 2/20 0.61
LMNA P02545 2/20 0.60
P2RX1 P51575 1/20 0.60
RXFP1 Q9HBX9 6/20 0.59
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
HTT P42858 2/20 0.59
RAB9A P51151 2/20 0.59
PTGS1 P23219 1/20 0.59
POLB P06746 1/20 0.58
KCNK9 Q9NPC2 1/20 0.57
OPRK1 P41145 1/20 0.57
TSHR P16473 1/20 0.56
NPC1 O15118 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
SCHEMBL3933740 0.86 MAPT (0.68) MAPTKCNK3LMNAP2RX1MEN1
SCHEMBL30523366 0.86 MAPT (0.68) MAPTKCNK3LMNAP2RX1MEN1
SCHEMBL24141032 0.84 MAPT (0.84) MAPTKCNK3LMNAP2RX1RXFP1
SCHEMBL17103527 0.84 MAPT (0.70) MAPTKCNK3LMNAP2RX1RXFP1
SCHEMBL16035764 0.84 MAPT (0.65) MAPTKCNK3LMNAP2RX1RXFP1
SCHEMBL16034660 0.84 MAPT (0.65) MAPTKCNK3LMNAP2RX1RXFP1
SCHEMBL16036025 0.84 MAPT (0.65) MAPTKCNK3LMNAP2RX1RXFP1
SCHEMBL4286068 0.83 MAPT (0.94) MAPTKCNK3LMNAP2RX1RXFP1
SCHEMBL23447711 0.83 MAPT (0.82) MAPTKCNK3LMNAP2RX1RXFP1
SCHEMBL15879845 0.83 MAPT (0.64) MAPTKCNK3LMNAP2RX1MEN1

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 16 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
US-8557996-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2013-10-15 US disclosed
US-8557996-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2013-10-15 US disclosed
US-8557996-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2013-10-15 US disclosed
EP-1802586-B1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC (US) 2013-04-24 EP disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed
US-7776869-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2010-08-17 US disclosed
US-7776869-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2010-08-17 US disclosed
US-7776869-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2010-08-17 US disclosed
US-20100160283-A1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2010-06-24 US disclosed
US-20100160283-A1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2010-06-24 US disclosed
US-20100160283-A1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2010-06-24 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
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20060217380-A1 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. 2006-09-28 US 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 (3 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-20100160283-A1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE IRAK3, IRAK1, MAP3K1 MAPT 4468/4885KCNK3 773/4885LMNA 1665/4885
US-20060217380-A1 Heteroaryl-substituted alkyne compounds and method of use IRAK3, IRAK1, MAP3K1 MAPT 4468/4885KCNK3 773/4885LMNA 1665/4885
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 MAPT 4333/4885KCNK3 835/4885LMNA 1675/4885

“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.