SCHEMBL2264181

SCHEMBL2264181

Cc1nc(N)c(-c2ccccc2)c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.62
MAPT P10636 4/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
MAPK1 P28482 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
HSD17B10 Q99714 3/20 0.50
HTT P42858 3/20 0.50
ADRA2A P08913 1/20 0.50
ADORA2A P29274 1/20 0.50
CYP1A2 P05177 3/20 0.48
HPGD P15428 3/20 0.48
ALDH1A1 P00352 3/20 0.48
NUDT1 P36639 1/20 0.48
GPR3 P46089 1/20 0.48
CYP3A4 P08684 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2C9 P11712 1/20 0.47
NPSR1 Q6W5P4 2/20 0.47
DHFR P00374 2/20 0.46
HEXA P06865 1/20 0.46

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
SCHEMBL16352606 0.82 GPR3 (0.54) KDM4EMAPTL3MBTL1MAPK1TDP1
SCHEMBL28183986 0.78 GPR3 (0.50) KDM4EMAPTL3MBTL1MAPK1TDP1
SCHEMBL18459652 0.77 GPR3 (0.48) KDM4EMAPTL3MBTL1MAPK1TDP1
SCHEMBL11576048 0.76 KDM4E (0.51) KDM4EMAPTL3MBTL1MAPK1TDP1
SCHEMBL6530612 0.76 HSD17B10 (0.56) KDM4EMAPTL3MBTL1MAPK1TDP1
SCHEMBL28162801 0.75 HSD17B10 (0.50) KDM4EMAPTL3MBTL1MAPK1TDP1
SCHEMBL17942859 0.74 ALDH1A1 (0.50) KDM4EMAPTTDP1HSD17B10HTT
SCHEMBL5080981 0.74 KDM4E (0.59) KDM4EMAPTL3MBTL1MAPK1TDP1
SCHEMBL3500167 0.74 DHFR (0.61) KDM4EMAPTHSD17B10HTTADRA2A
SCHEMBL22312228 0.74 HSD17B10 (0.48) KDM4EMAPTL3MBTL1MAPK1TDP1

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
US-8440674-B2 Substituted pyrimidine compounds as RAF inhibitors and methods of use AMGEN INC. (US) 2013-05-14 US disclosed
EP-1976836-B9 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES AMGEN INC (US) 2013-02-06 EP disclosed
EP-1976836-B1 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES AMGEN INC (US) 2012-08-22 EP disclosed
EP-2481729-A1 Nintrogen-containing bicyclic heteroaryl compounds for the treatment of RAF protein kinase-mediated diseases Amgen Inc. (US) 2012-08-01 EP disclosed
US-20110251199-A1 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2011-10-13 US disclosed
US-7989461-B2 Substituted quinazolinamine compounds for the treatment of cancer AMGEN INC. (US) 2011-08-02 US disclosed
EP-1976836-A2 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES Amgen Inc. (US) 2008-10-08 EP disclosed
US-20070185324-A1 Nitrogen-containing bicyclic heteroaryl compounds and methods of use AMGEN INC. 2007-08-09 US disclosed
WO-2007076092-A2 NITROGEN- CONTAINING BICYCLIC HETROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES AMGEN INC. (US) 2007-07-05 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-20110251199-A1 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS AND METHODS OF USE BRAF, RAF1, NRAS KDM4E 1845/4885MAPT 4199/4885L3MBTL1 2147/4885
US-20070185324-A1 Nitrogen-containing bicyclic heteroaryl compounds and methods of use BRAF, NRAS, RAF1 KDM4E 1653/4885MAPT 4219/4885L3MBTL1 2386/4885

“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.