SCHEMBL4734047

SCHEMBL4734047

N#Cc1cccnc1Oc1ccc(F)c(C(=O)Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.43
RAB9A P51151 1/20 0.41
GRM4 Q14833 1/20 0.40
SLC22A12 Q96S37 2/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
P2RX3 P56373 5/20 0.38
HPGD P15428 1/20 0.38
HAO1 Q9UJM8 1/20 0.37

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
SCHEMBL4733431 0.89 BACE1 (0.44) BACE1RAB9AGRM4CARM1PRMT6
SCHEMBL4734100 0.79 MAPK8 (0.46) RAB9AHPGD
SCHEMBL7367004 0.77 SLC22A12 (0.47) RAB9AGRM4SLC22A12HAO1
SCHEMBL29719546 0.75 KMT2A (0.56) BACE1CYP1A2CYP2C9CYP2C19ALOX5AP
SCHEMBL7367307 0.74 AR (0.50) RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL10955865 0.74 KDM4E (0.53) BACE1RAB9ASLC22A12CYP1A2CYP2C19
SCHEMBL4731989 0.73 RAB9A (0.37) RAB9ACARM1PRMT6FEN1
SCHEMBL23657444 0.73 KMT2A (0.57) RAB9AGRM4CYP1A2CYP2C9CYP2C19
SCHEMBL3287923 0.73 ALOX5AP (0.43) BACE1RAB9ASLC22A12CYP1A2CYP2C19
SCHEMBL7366258 0.72 L3MBTL1 (0.52) RAB9ASLC22A12P2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822514-B2 Multi-cyclic compounds and methods of use AMGEN INC. (US) 2014-09-02 US disclosed
US-20120245206-A1 MULTI-CYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2012-09-27 US disclosed
US-8236823-B2 Multi-cyclic compounds and methods of use AMGEN INC. (US) 2012-08-07 US disclosed
US-20080255205-A1 protein kinase receptors (like Tie-2 and Aurora) modulators; to treat cancer, inflammation and related disorders; to regulate active angiogenesis, cell-signal transduction; 5-(3-(1H-tetrazol-5-yl)pyridin-2-yloxy)-N-(3-chlorobenzyl)-2-fluorobenzamide AMGEN INC. (US) 2008-10-16 US disclosed
WO-2008057280-A1 MULTI-CYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2008-05-15 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-20120245206-A1 MULTI-CYCLIC COMPOUNDS AND METHODS OF USE TIE1, FLT4, CDK1 BACE1 1949/4885RAB9A 3516/4885GRM4 2201/4885
US-20080255205-A1 protein kinase receptors (like Tie-2 and Aurora) modulators; to treat cancer, inflammation and related disorders; to regulate active angiogenesis, cell-signal transduction; 5-(3-(1H-tetrazol-5-yl)pyridin-2-yloxy)-N-(3-chlorobenzyl)-2-fluorobenzamide TIE1, AURKB, TEK BACE1 2886/4885RAB9A 3497/4885GRM4 3874/4885

“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.