SCHEMBL4734100

SCHEMBL4734100

N#Cc1cccnc1Oc1ccc(F)c(C(=O)NCc2cccc(Cl)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.46
NPC1 O15118 1/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
AKR1B1 P15121 1/20 0.43

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
SCHEMBL4733010 0.79 MAPK8 (0.42) MAPK8NPC1POLBLMNAHPGD
SCHEMBL4734047 0.79 BACE1 (0.43) HPGDRAB9A
SCHEMBL4733431 0.78 BACE1 (0.44) RAB9A
SCHEMBL7367307 0.74 AR (0.50) NPC1POLBKMT2AALDH1A1MAPT
SCHEMBL7366157 0.73 MAPK8 (0.51) MAPK8LMNAHPGD
SCHEMBL13392324 0.70 APEX1 (0.53) NPC1POLBLMNAHPGDKMT2A
SCHEMBL13591202 0.70 KMT2A (0.57) NPC1POLBLMNAHPGDKMT2A
SCHEMBL7368548 0.70 MAPK8 (0.51) MAPK8LMNA
SCHEMBL920826 0.70 HPGD (0.53) MAPK8NPC1POLBLMNAHPGD
SCHEMBL2910612 0.69 RXRA (0.64) NPC1POLBALDH1A1RAB9A

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 MAPK8 424/4885NPC1 3814/4885POLB 1832/4885
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 MAPK8 289/4885NPC1 4060/4885POLB 2758/4885

“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.